ChemSpider 2D Image | 2,2-Dimethyl-N-({(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]octahydrocyclopenta[b]pyrrol-4-yl}methyl)propanamide | C22H29F3N2O2

2,2-Dimethyl-N-({(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]octahydrocyclopenta[b]pyrrol-4-yl}methyl)propanamide

  • Molecular FormulaC22H29F3N2O2
  • Average mass410.473 Da
  • Monoisotopic mass410.218109 Da
  • ChemSpider ID84489740

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,2-Dimethyl-N-({(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[4-(trifluormethyl)benzyl]octahydrocyclopenta[b]pyrrol-4-yl}methyl)propanamid [German] [ACD/IUPAC Name]
2,2-Dimethyl-N-({(3aS,4R,5S,6aR)-5-methyl-2-oxo-1-[4-(trifluoromethyl)benzyl]octahydrocyclopenta[b]pyrrol-4-yl}methyl)propanamide [ACD/IUPAC Name]
2,2-Diméthyl-N-({(3aS,4R,5S,6aR)-5-méthyl-2-oxo-1-[4-(trifluorométhyl)benzyl]octahydrocyclopenta[b]pyrrol-4-yl}méthyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2,2-dimethyl-N-[[(3aS,4R,5S,6aR)-octahydro-5-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopenta[b]pyrrol-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 843.98
ACD/KOC (pH 5.5): 4327.82
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 843.98
ACD/KOC (pH 7.4): 4327.83
Polar Surface Area: 49 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

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