ChemSpider 2D Image | 6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide | C27H38N2O

6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide

  • Molecular FormulaC27H38N2O
  • Average mass406.603 Da
  • Monoisotopic mass406.298401 Da
  • ChemSpider ID23045536

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-(3-phenylpropyl)-6-azaspiro[2.5]octan-1-carboxamid [German] [ACD/IUPAC Name]
6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide [ACD/IUPAC Name]
6-{[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-N-(3-phénylpropyl)-6-azaspiro[2.5]octane-1-carboxamide [French] [ACD/IUPAC Name]
6-Azaspiro[2.5]octane-1-carboxamide, 6-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N-(3-phenylpropyl)- [ACD/Index 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: 572.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 9.43
ACD/KOC (pH 5.5): 23.45
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 76.53
ACD/KOC (pH 7.4): 190.20
Polar Surface Area: 32 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

Click to predict properties on the Chemicalize site


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