ChemSpider 2D Image | hookerianamide I | C30H46N2O

hookerianamide I

  • Molecular FormulaC30H46N2O
  • Average mass450.699 Da
  • Monoisotopic mass450.361023 Da
  • ChemSpider ID24711669

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

957466-16-9 [RN]
Benzamide, N-methyl-N-[(3β,5α,20S)-20-(methylamino)pregnan-3-yl]- [ACD/Index Name]
hookerianamide I
N-Methyl-N-[(3β,5α,20S)-20-(methylamino)pregnan-3-yl]benzamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(3β,5α,20S)-20-(methylamino)pregnan-3-yl]benzamide [ACD/IUPAC Name]
N-Méthyl-N-[(3β,5α,20S)-20-(méthylamino)prégnan-3-yl]benzamide [French] [ACD/IUPAC Name]
20(N-methylamino)-3β-(N-methylbenzamido)-5α-pregnane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503323/
  • Miscellaneous

    • Chemical Class:

      A steroid alkaloid that is 5<stereo>alpha</stereo>-pregnane substituted by a <element>N</element>-methylamino group at position 20 and a <stereo>beta</stereo>-<element>N</element>-methylbenzamido grou p at position 3. Isolated from <ital>Sarcococca hookeriana</ital>, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase. ChEBI CHEBI:66021
      A steroid alkaloid that is 5alpha-pregnane substituted by a N-methylamino group at position 20 and a beta-N-methylbenzamido grou; p at position 3. Isolated from Sarcococca hookeriana, it exhibits anti plasmodial activity and inhibitory activity against cholinesterase. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66021
      A steroid alkaloid that is 5alpha-pregnane substituted by a N-methylamino group at position 20 and a beta-N-methylbenzamido group at position 3. Isolated from Sarcococca hookeriana, it exhibits antipl asmodial activity and inhibitory activity against cholinesterase. ChEBI CHEBI:66021

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.6±22.6 °C
Index of Refraction: 1.564
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 16.61
ACD/KOC (pH 5.5): 34.33
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 33.13
ACD/KOC (pH 7.4): 68.47
Polar Surface Area: 32 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement