ChemSpider 2D Image | N~2~-(2,3-Dimethylcyclohexyl)-3-(3-ethoxypropyl)-N~6~-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C30H41N3O6

N2-(2,3-Dimethylcyclohexyl)-3-(3-ethoxypropyl)-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID20225202

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-(2,3-dimethylcyclohexyl)-2-(3-ethoxypropyl)-1,2,3,6,7,7a-hexahydro-N7-(4-methoxyphenyl)-1-oxo- [ACD/Index Name]
N2-(2,3-Dimethylcyclohexyl)-3-(3-ethoxypropyl)-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-(2,3-Dimethylcyclohexyl)-3-(3-ethoxypropyl)-N6-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-(2,3-Diméthylcyclohexyl)-3-(3-éthoxypropyl)-N6-(4-méthoxyphényl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC 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: 801.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.3±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 427.38
ACD/KOC (pH 5.5): 2659.09
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 427.40
ACD/KOC (pH 7.4): 2659.21
Polar Surface Area: 106 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

Click to predict properties on the Chemicalize site


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