ChemSpider 2D Image | 2-(4-Methoxyphenoxy)-N-[4-(1-piperidinyl)phenyl]acetamide | C20H24N2O3

2-(4-Methoxyphenoxy)-N-[4-(1-piperidinyl)phenyl]acetamide

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID1701243

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

2-(4-Methoxyphenoxy)-N-[4-(1-piperidinyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-(4-Methoxyphenoxy)-N-[4-(1-piperidinyl)phenyl]acetamide [ACD/IUPAC Name]
2-(4-Méthoxyphénoxy)-N-[4-(1-pipéridinyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-(4-methoxyphenoxy)-N-[4-(1-piperidinyl)phenyl]- [ACD/Index Name]
2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
2-(4-Methoxy-phenoxy)-N-(4-piperidin-1-yl-phenyl)-acetamide
2-(4-methoxyphenoxy)-N-[4-(piperidin-1-yl)phenyl]acetamide
403643-73-2 [RN]
AC1M450B
AGN-PC-0KE7N1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 02765345 [DBID]
ZINC02972742 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 584.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.3±3.0 kJ/mol
    Flash Point: 307.1±27.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 98.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 99.60
    ACD/KOC (pH 5.5): 758.71
    ACD/LogD (pH 7.4): 3.35
    ACD/BCF (pH 7.4): 206.80
    ACD/KOC (pH 7.4): 1575.29
    Polar Surface Area: 51 Å2
    Polarizability: 39.0±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 287.2±3.0 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) =  4.45
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  505.91  (Adapted Stein & Brown method)
        Melting Pt (deg C):  215.36  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  1.82E-010  (Modified Grain method)
        Subcooled liquid VP: 1.95E-008 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):  1.125
           log Kow used: 4.45 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  2.1344 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Neutral Organics
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.83E-013  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  7.247E-011 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  4.45  (KowWin est)
      Log Kaw used:  -11.126  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  15.576
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.8542
       Biowin2 (Non-Linear Model)     :   0.9585
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.0216  (months      )
       Biowin4 (Primary Survey Model) :   3.4283  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.3458
       Biowin6 (MITI Non-Linear Model):   0.1174
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -1.8677
     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):  2.6E-006 Pa (1.95E-008 mm Hg)
      Log Koa (Koawin est  ): 15.576
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  1.15 
           Octanol/air (Koa) model:  925 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.977 
           Mackay model           :  0.989 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 125.9765 E-12 cm3/molecule-sec
          Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.019 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.983 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1.022E+004
          Log Koc:  4.010 
    
     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 = 2.725 (BCF = 530.7)
           log Kow used: 4.45 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.83E-013 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 5.903E+009  hours   (2.46E+008 days)
        Half-Life from Model Lake :  6.44E+010  hours   (2.683E+009 days)
    
     Removal In Wastewater Treatment:
        Total removal:              53.37  percent
        Total biodegradation:        0.50  percent
        Total sludge adsorption:    52.87  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       5.34e-005       2.04         1000       
       Water     7.79            1.44e+003    1000       
       Soil      85.4            2.88e+003    1000       
       Sediment  6.84            1.3e+004     0          
         Persistence Time: 3.07e+003 hr
    
    
    
    
                        

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