ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-2-[(1S,4S,5S)-5-isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]acetamide | C24H39N3O4S

N-[2-(Dimethylamino)ethyl]-2-[(1S,4S,5S)-5-isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]acetamide

  • Molecular FormulaC24H39N3O4S
  • Average mass465.649 Da
  • Monoisotopic mass465.266113 Da
  • ChemSpider ID22937021

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Cyclohexene-1-acetamide, N-[2-(dimethylamino)ethyl]-4-[[[(4-methoxyphenyl)sulfonyl]amino]methyl]-2-methyl-5-(1-methylethyl)-, (1S,4S,5S)- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-2-[(1S,4S,5S)-5-isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]acetamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-2-[(1S,4S,5S)-5-isopropyl-4-({[(4-methoxyphenyl)sulfonyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]acetamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-2-[(1S,4S,5S)-5-isopropyl-4-({[(4-méthoxyphényl)sulfonyl]amino}méthyl)-2-méthyl-2-cyclohexén-1-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 14.11
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 120.44
ACD/KOC (pH 7.4): 715.10
Polar Surface Area: 96 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 426.7±3.0 cm3

Click to predict properties on the Chemicalize site


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