ChemSpider 2D Image | N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}-2-methoxyacetamide | C23H40N2O4

N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}-2-methoxyacetamide

  • Molecular FormulaC23H40N2O4
  • Average mass408.575 Da
  • Monoisotopic mass408.298798 Da
  • ChemSpider ID29857210

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Acetamide, N-[(1S,2S,4aS,7S,8S,8aS)-decahydro-8-hydroxy-1,4a-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(1-piperidinyl)ethyl]-2-naphthalenyl]-2-methoxy- [ACD/Index Name]
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-diméthyl-7-[(2S)-1-oxo-1-(1-pipéridinyl)-2-propanyl]décahydro-2-naphtalényl}-2-méthoxyacétamide [French] [ACD/IUPAC Name]
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}-2-methoxyacetamide [ACD/IUPAC Name]
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalinyl}-2-methoxyacetamid [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: 599.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 316.6±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.87
ACD/KOC (pH 5.5): 495.54
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.87
ACD/KOC (pH 7.4): 495.54
Polar Surface Area: 79 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

Click to predict properties on the Chemicalize site


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