ChemSpider 2D Image | N-[(3beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20R)-3-(Dimethylamino)pregn-5-en-20-yl]-N-methylacetamide | C26H44N2O

N-[(3β,8α,9β,10α,13α,14β,17α,20R)-3-(Dimethylamino)pregn-5-en-20-yl]-N-methylacetamide

  • Molecular FormulaC26H44N2O
  • Average mass400.640 Da
  • Monoisotopic mass400.345367 Da
  • ChemSpider ID30657158

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Acetamide, N-[(3β,8α,9β,10α,13α,14β,17α,20R)-3-(dimethylamino)pregn-5-en-20-yl]-N-methyl- [ACD/Index Name]
N-[(3β,8α,9β,10α,13α,14β,17α,20R)-3-(Dimethylamino)pregn-5-en-20-yl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-[(3β,8α,9β,10α,13α,14β,17α,20R)-3-(Dimethylamino)pregn-5-en-20-yl]-N-methylacetamide [ACD/IUPAC Name]
N-[(3β,8α,9β,10α,13α,14β,17α,20R)-3-(Diméthylamino)prégn-5-én-20-yl]-N-méthylacétamide [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: 502.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 182.8±17.7 °C
Index of Refraction: 1.542
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 14.34
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 40.53
ACD/KOC (pH 7.4): 122.73
Polar Surface Area: 24 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

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