ChemSpider 2D Image | N-[(2S)-1-{[(1S,2S,3R)-2,3-Dimethylcyclohexyl]amino}-3-methyl-1-oxo-2-butanyl]cyclohexanecarboxamide | C20H36N2O2

N-[(2S)-1-{[(1S,2S,3R)-2,3-Dimethylcyclohexyl]amino}-3-methyl-1-oxo-2-butanyl]cyclohexanecarboxamide

  • Molecular FormulaC20H36N2O2
  • Average mass336.512 Da
  • Monoisotopic mass336.277679 Da
  • ChemSpider ID62503307

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(1S)-1-[[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]carbonyl]-2-methylpropyl]- [ACD/Index Name]
N-[(2S)-1-{[(1S,2S,3R)-2,3-Dimethylcyclohexyl]amino}-3-methyl-1-oxo-2-butanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(1S,2S,3R)-2,3-Dimethylcyclohexyl]amino}-3-methyl-1-oxo-2-butanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[(1S,2S,3R)-2,3-Diméthylcyclohexyl]amino}-3-méthyl-1-oxo-2-butanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 545.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 171.7±21.9 °C
Index of Refraction: 1.501
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1338.70
ACD/KOC (pH 5.5): 6021.13
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1338.70
ACD/KOC (pH 7.4): 6021.14
Polar Surface Area: 58 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

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