ChemSpider 2D Image | N-{(1S,2S,4aS,7S,8S,8aS)-7-[(2S)-1-(Diethylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide | C26H46N2O3

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

  • Molecular FormulaC26H46N2O3
  • Average mass434.655 Da
  • Monoisotopic mass434.350830 Da
  • ChemSpider ID29857178
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2-Naphthaleneacetamide, 7-[(cyclohexylcarbonyl)amino]-N,N-diethyldecahydro-1-hydroxy-α,4a,8-trimethyl-, (αS,1S,2S,4aS,7S,8S,8aS)- [ACD/Index Name]
N-{(1S,2S,4aS,7S,8S,8aS)-7-[(2S)-1-(Diéthylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-diméthyldécahydro-2-naphtalényl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-{(1S,2S,4aS,7S,8S,8aS)-7-[(2S)-1-(Diethylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide [ACD/IUPAC Name]
N-{(1S,2S,4aS,7S,8S,8aS)-7-[(2S)-1-(Diethylamino)-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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 320.5±26.8 °C
Index of Refraction: 1.527
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 822.81
ACD/KOC (pH 5.5): 4249.85
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 822.81
ACD/KOC (pH 7.4): 4249.85
Polar Surface Area: 70 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

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