ChemSpider 2D Image | 3-(3-Ethoxypropyl)-N~6~-(4-isopropylphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H43N3O5

3-(3-Ethoxypropyl)-N6-(4-isopropylphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID20225626

More details:

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

3-(3-Ethoxypropyl)-N6-(4-isopropylphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-(3-Ethoxypropyl)-N6-(4-isopropylphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-(3-Éthoxypropyl)-N6-(4-isopropylphényl)-N2-(2-méthylcyclohexyl)-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-(3-ethoxypropyl)-1,2,3,6,7,7a-hexahydro-N3-(2-methylcyclohexyl)-N7-[4-(1-methylethyl)phenyl]-1-oxo- [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: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1186.67
ACD/KOC (pH 5.5): 5523.34
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1186.70
ACD/KOC (pH 7.4): 5523.46
Polar Surface Area: 97 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 443.2±5.0 cm3

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