ChemSpider 2D Image | 6-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide | C30H42N2O2

6-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide

  • Molecular FormulaC30H42N2O2
  • Average mass462.667 Da
  • Monoisotopic mass462.324615 Da
  • ChemSpider ID23045605

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

6-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-6-azaspiro[2.5]octan-1-carboxamid [German] [ACD/IUPAC Name]
6-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide [ACD/IUPAC Name]
6-{[(4S)-4-Isopropényl-1-cyclohexén-1-yl]méthyl}-N-[(4-phényltétrahydro-2H-pyran-4-yl)méthyl]-6-azaspiro[2.5]octane-1-carboxamide [French] [ACD/IUPAC Name]
6-Azaspiro[2.5]octane-1-carboxamide, 6-[[(4S)-4-(1-methylethenyl)-1-cyclohexen-1-yl]methyl]-N-[(tetrahydro-4-phenyl-2H-pyran-4-yl)methyl]- [ACD/Index Name]
N-[(4-PHENYLOXAN-4-YL)METHYL]-6-{[(4S)-4-(PROP-1-EN-2-YL)CYCLOHEX-1-EN-1-YL]METHYL}-6-AZASPIRO[2.5]OCTANE-1-CARBOXAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 13.61
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 34.57
ACD/KOC (pH 7.4): 106.45
Polar Surface Area: 42 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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