ChemSpider 2D Image | N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide | C28H48N2O3

N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide

  • Molecular FormulaC28H48N2O3
  • Average mass460.692 Da
  • Monoisotopic mass460.366486 Da
  • ChemSpider ID22937581

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Naphthaleneacetamide, N-cyclohexyl-7-[(cyclohexylcarbonyl)amino]decahydro-1-hydroxy-α,4a,8-trimethyl-, (αS,1S,7S,8S,8aS)- [ACD/Index Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-diméthyldécahydro-2-naphtalényl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalinyl}cyclohexancarboxamid [German] [ACD/IUPAC 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: 676.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 362.6±25.7 °C
Index of Refraction: 1.538
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2300.24
ACD/KOC (pH 5.5): 8870.60
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2300.24
ACD/KOC (pH 7.4): 8870.61
Polar Surface Area: 78 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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