ChemSpider 2D Image | N-Methyl-N-[(3beta,5alpha,9beta,20S)-4,4,14-trimethyl-3-(methylamino)-9,19-cyclopregnan-20-yl]acetamide | C28H48N2O

N-Methyl-N-[(3β,5α,9β,20S)-4,4,14-trimethyl-3-(methylamino)-9,19-cyclopregnan-20-yl]acetamide

  • Molecular FormulaC28H48N2O
  • Average mass428.694 Da
  • Monoisotopic mass428.376678 Da
  • ChemSpider ID68024079

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Acetamide, N-methyl-N-[(3β,5α,9β,20S)-4,4,14-trimethyl-3-(methylamino)-9,19-cyclopregnan-20-yl]- [ACD/Index Name]
N-Methyl-N-[(3β,5α,9β,20S)-4,4,14-trimethyl-3-(methylamino)-9,19-cyclopregnan-20-yl]acetamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(3β,5α,9β,20S)-4,4,14-trimethyl-3-(methylamino)-9,19-cyclopregnan-20-yl]acetamide [ACD/IUPAC Name]
N-Méthyl-N-[(3β,5α,9β,20S)-4,4,14-triméthyl-3-(méthylamino)-9,19-cycloprégnan-20-yl]acétamide [French] [ACD/IUPAC Name]
16974-77-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 520.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.4±22.6 °C
Index of Refraction: 1.544
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 12.84
ACD/KOC (pH 5.5): 28.53
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 21.58
ACD/KOC (pH 7.4): 47.92
Polar Surface Area: 32 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

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