ChemSpider 2D Image | 3-[2-(1-Cyclohexen-1-yl)ethyl]-N~2~-cyclohexyl-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H39N3O5

3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-cyclohexyl-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID20225344

More details:

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

3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-cyclohexyl-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-[2-(1-Cyclohexen-1-yl)ethyl]-N2-cyclohexyl-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-[2-(1-Cyclohexén-1-yl)éthyl]-N2-cyclohexyl-N6-(4-méthoxyphényl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, 2-[2-(1-cyclohexen-1-yl)ethyl]-N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-N7-(4-methoxyphenyl)-1-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2235.44
ACD/KOC (pH 5.5): 8690.90
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2235.54
ACD/KOC (pH 7.4): 8691.27
Polar Surface Area: 97 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

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