ChemSpider 2D Image | (1R,2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide | C19H28N2O2

(1R,2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID95601915

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,2S,5R)-N-[4-(2-Amino-2-oxoethyl)phenyl]-2-isopropyl-5-methylcyclohexanecarboxamide [ACD/IUPAC Name]
(1R,2S,5R)-N-[4-(2-Amino-2-oxoéthyl)phényl]-2-isopropyl-5-méthylcyclohexanecarboxamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 4-[[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.2±28.2 °C
Index of Refraction: 1.553
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.09
ACD/KOC (pH 5.5): 2536.44
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.09
ACD/KOC (pH 7.4): 2536.48
Polar Surface Area: 72 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


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