ChemSpider 2D Image | 3-Cyclohexyl-N-{(1R)-2-[(2-methyl-2-propanyl)amino]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}-N-phenylpropanamide | C28H35F3N2O2

3-Cyclohexyl-N-{(1R)-2-[(2-methyl-2-propanyl)amino]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}-N-phenylpropanamide

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID62305626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Cyclohexyl-N-{(1R)-2-[(2-methyl-2-propanyl)amino]-2-oxo-1-[4-(trifluormethyl)phenyl]ethyl}-N-phenylpropanamid [German] [ACD/IUPAC Name]
3-Cyclohexyl-N-{(1R)-2-[(2-methyl-2-propanyl)amino]-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl}-N-phenylpropanamide [ACD/IUPAC Name]
3-Cyclohexyl-N-{(1R)-2-[(2-méthyl-2-propanyl)amino]-2-oxo-1-[4-(trifluorométhyl)phényl]éthyl}-N-phénylpropanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[(3-cyclohexyl-1-oxopropyl)phenylamino]-N-(1,1-dimethylethyl)-4-(trifluoromethyl)-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26606.44
ACD/KOC (pH 5.5): 51167.02
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26606.50
ACD/KOC (pH 7.4): 51167.13
Polar Surface Area: 49 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 423.5±3.0 cm3

Click to predict properties on the Chemicalize site


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