ChemSpider 2D Image | 3-Methoxy-N-[2-(1-piperidinyl)phenyl]-2-naphthamide | C23H24N2O2

3-Methoxy-N-[2-(1-piperidinyl)phenyl]-2-naphthamide

  • Molecular FormulaC23H24N2O2
  • Average mass360.449 Da
  • Monoisotopic mass360.183777 Da
  • ChemSpider ID1090358

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

2-Naphthalenecarboxamide, 3-methoxy-N-[2-(1-piperidinyl)phenyl]- [ACD/Index Name]
3-Méthoxy-N-[2-(1-pipéridinyl)phényl]-2-naphtamide [French] [ACD/IUPAC Name]
3-Methoxy-N-[2-(1-piperidinyl)phenyl]-2-naphthamid [German] [ACD/IUPAC Name]
3-Methoxy-N-[2-(1-piperidinyl)phenyl]-2-naphthamide [ACD/IUPAC Name]
3-Methoxy-N-[2-(piperidin-1-yl)phenyl]-2-naphthamide
3-methoxy-N-(2-piperidin-1-ylphenyl)-2-naphthamide
3-methoxy-N-(2-piperidin-1-ylphenyl)naphthalene-2-carboxamide
3-methoxy-N-[2-(piperidin-1-yl)phenyl]naphthalene-2-carboxamide
3-Methoxy-naphthalene-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide
532406-11-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC01124052 [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: 494.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 252.7±24.6 °C
    Index of Refraction: 1.659
    Molar Refractivity: 110.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 228.81
    ACD/KOC (pH 5.5): 896.17
    ACD/LogD (pH 7.4): 4.65
    ACD/BCF (pH 7.4): 1961.79
    ACD/KOC (pH 7.4): 7683.76
    Polar Surface Area: 42 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 298.7±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) =  5.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  553.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  237.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.15E-012  (Modified Grain method)
    Subcooled liquid VP: 1.21E-009 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):  0.06019
       log Kow used: 5.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.02452 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.16E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.846E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.80  (KowWin est)
  Log Kaw used:  -11.324  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.124
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7127
   Biowin2 (Non-Linear Model)     :   0.6472
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0355  (months      )
   Biowin4 (Primary Survey Model) :   3.3222  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0580
   Biowin6 (MITI Non-Linear Model):   0.0162
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.2626
 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):  1.61E-007 Pa (1.21E-009 mm Hg)
  Log Koa (Koawin est  ): 17.124
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  18.6 
       Octanol/air (Koa) model:  3.27E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 144.4569 E-12 cm3/molecule-sec
      Half-Life =     0.074 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.889 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.376E+004
      Log Koc:  4.805 

 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 = 3.762 (BCF = 5786)
       log Kow used: 5.80 (estimated)

 Volatilization from Water:
    Henry LC:  1.16E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.583E+009  hours   (3.993E+008 days)
    Half-Life from Model Lake : 1.045E+011  hours   (4.356E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              91.08  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    90.32  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       0.000371        1.78         1000       
   Water     2.96            1.44e+003    1000       
   Soil      53.8            2.88e+003    1000       
   Sediment  43.3            1.3e+004     0          
     Persistence Time: 4.84e+003 hr

    Click to predict properties on the Chemicalize site


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