ChemSpider 2D Image | hookerianamide H | C24H38N2O2

hookerianamide H

  • Molecular FormulaC24H38N2O2
  • Average mass386.571 Da
  • Monoisotopic mass386.293335 Da
  • ChemSpider ID24706177

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

957466-14-7 [RN]
Formamide, N-[(5α,20S)-20-(dimethylamino)-4-oxopregn-2-en-3-yl]- [ACD/Index Name]
hookerianamide H
N-[(5α,20S)-20-(Dimethylamino)-4-oxopregn-2-en-3-yl]formamid [German] [ACD/IUPAC Name]
N-[(5α,20S)-20-(Dimethylamino)-4-oxopregn-2-en-3-yl]formamide [ACD/IUPAC Name]
N-[(5α,20S)-20-(Diméthylamino)-4-oxoprégn-2-én-3-yl]formamide [French] [ACD/IUPAC Name]
20(N,N-dimethylamino)-3-(N-formylamino)-5α-pregn-2-ene-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496489/
  • Miscellaneous

    • Chemical Class:

      A steroid alkaloid that is 5<stereo>alpha</stereo>-pregn-2-ene-4-one substituted by a <element>N</element>-formylamino group at position 3 and a <element>N</element>,<element>N</element>-dimethylamino group at position 20. Isolated from <ital>Sarcococca hookeriana</ital>, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase. ChEBI CHEBI:66020
      A steroid alkaloid that is 5alpha-pregn-2-ene-4-one substituted by a N-formylamino group at position 3 and a N,N-dimethylamino group at position 20. Isolated from Sarcococca hookeriana, it exhibits an tiplasmodial activity and inhibitory activity against cholinesterase. ChEBI CHEBI:66020
      A steroid alkaloid that is 5alpha-pregn-2-ene-4-one substituted by a N-formylamino group at position 3 and a N,N-dimethylamino; group at position 20. Isolated from Sarcococca hookeriana, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66020

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.1±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 19.74
Polar Surface Area: 49 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 352.7±5.0 cm3

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