Found 9774 results

Search term: C24H31N3O3 (Found by molecular formula)

ChemSpider 2D Image | N-(2-Ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-benzimidazol-1-yl]-N-(1-methoxy-2-propanyl)acetamide | C24H31N3O3

N-(2-Ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-benzimidazol-1-yl]-N-(1-methoxy-2-propanyl)acetamide

  • Molecular FormulaC24H31N3O3
  • Average mass409.521 Da
  • Monoisotopic mass409.236542 Da
  • ChemSpider ID2220436

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Benzimidazole-1-acetamide, N-(2-ethyl-6-methylphenyl)-2-(methoxymethyl)-N-(2-methoxy-1-methylethyl)- [ACD/Index Name]
N-(2-Ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-benzimidazol-1-yl]-N-(1-methoxy-2-propanyl)acetamid [German] [ACD/IUPAC Name]
N-(2-Ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-benzimidazol-1-yl]-N-(1-methoxy-2-propanyl)acetamide [ACD/IUPAC Name]
N-(2-Éthyl-6-méthylphényl)-2-[2-(méthoxyméthyl)-1H-benzimidazol-1-yl]-N-(1-méthoxy-2-propanyl)acétamide [French] [ACD/IUPAC Name]
N-(2-Ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
638141-06-7 [RN]
AC1MH77R
AGN-PC-0K3D0X
CHEMBL1522150
F1558-0144
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

IFLab1_006195 [DBID]
MLS000535607 [DBID]
SMR000143043 [DBID]
ZINC01128601 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 590.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.1±3.0 kJ/mol
    Flash Point: 311.1±30.1 °C
    Index of Refraction: 1.566
    Molar Refractivity: 119.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.60
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 936.46
    ACD/KOC (pH 5.5): 4632.04
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 957.82
    ACD/KOC (pH 7.4): 4737.71
    Polar Surface Area: 57 Å2
    Polarizability: 47.2±0.5 10-24cm3
    Surface Tension: 38.7±7.0 dyne/cm
    Molar Volume: 365.4±7.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  4.01
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  578.87  (Adapted Stein & Brown method)
        Melting Pt (deg C):  249.44  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  9.5E-013  (Modified Grain method)
        Subcooled liquid VP: 2.62E-010 mm Hg (25 deg C, Mod-Grain method)
    
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  1.012
           log Kow used: 4.01 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  20.403 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Imidazoles
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   5.79E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  5.058E-013 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  4.01  (KowWin est)
      Log Kaw used:  -12.626  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  16.636
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.1773
       Biowin2 (Non-Linear Model)     :   0.0030
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.0729  (months      )
       Biowin4 (Primary Survey Model) :   3.3058  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.3393
       Biowin6 (MITI Non-Linear Model):   0.0010
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -1.8474
     Ready Biodegradability Prediction:   NO
    
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
    
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  3.49E-008 Pa (2.62E-010 mm Hg)
      Log Koa (Koawin est  ): 16.636
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  85.9 
           Octanol/air (Koa) model:  1.06E+004 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 152.3069 E-12 cm3/molecule-sec
          Half-Life =     0.070 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.843 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1358
          Log Koc:  3.133 
    
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
        Rate constants can NOT be estimated for this structure!
    
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 2.385 (BCF = 242.8)
           log Kow used: 4.01 (estimated)
    
     Volatilization from Water:
        Henry LC:  5.79E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 2.046E+011  hours   (8.526E+009 days)
        Half-Life from Model Lake : 2.232E+012  hours   (9.302E+010 days)
    
     Removal In Wastewater Treatment:
        Total removal:              30.52  percent
        Total biodegradation:        0.32  percent
        Total sludge adsorption:    30.20  percent
        Total to Air:                0.00  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       0.000154        1.69         1000       
       Water     8.49            1.44e+003    1000       
       Soil      88.9            2.88e+003    1000       
       Sediment  2.61            1.3e+004     0          
         Persistence Time: 2.92e+003 hr
    
    
    
    
                        

    Click to predict properties on the Chemicalize site






    Advertisement