ChemSpider 2D Image | N-[(3beta,5alpha)-3-(Dimethylamino)pregnan-20-yl]-N-methylacetamide | C26H46N2O

N-[(3β,5α)-3-(Dimethylamino)pregnan-20-yl]-N-methylacetamide

  • Molecular FormulaC26H46N2O
  • Average mass402.656 Da
  • Monoisotopic mass402.361023 Da
  • ChemSpider ID23214276

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Acetamide, N-[(3β,5α)-3-(dimethylamino)pregnan-20-yl]-N-methyl- [ACD/Index Name]
N-[(3β,5α)-3-(Dimethylamino)pregnan-20-yl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-[(3β,5α)-3-(Dimethylamino)pregnan-20-yl]-N-methylacetamide [ACD/IUPAC Name]
N-[(3β,5α)-3-(Diméthylamino)prégnan-20-yl]-N-méthylacétamide [French] [ACD/IUPAC Name]
2309-42-4 [RN]
N-[(S)-1-((3S,5S,8R,9S,10S,13S,14S,17S)-3-Dimethylamino-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethyl]-N-methyl-acetamide
saracodine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 175.5±13.6 °C
Index of Refraction: 1.531
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 15.35
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 35.39
ACD/KOC (pH 7.4): 103.26
Polar Surface Area: 24 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 394.3±5.0 cm3

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