ChemSpider 2D Image | 3-{2-[Benzyl(methyl)amino]ethyl}-N~2~-(2,3-dimethylcyclohexyl)-N~6~-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C36H46N4O4

3-{2-[Benzyl(methyl)amino]ethyl}-N2-(2,3-dimethylcyclohexyl)-N6-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC36H46N4O4
  • Average mass598.775 Da
  • Monoisotopic mass598.351929 Da
  • ChemSpider ID22467283

More details:

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

3-{2-[Benzyl(methyl)amino]ethyl}-N2-(2,3-dimethylcyclohexyl)-N6-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-{2-[Benzyl(methyl)amino]ethyl}-N2-(2,3-dimethylcyclohexyl)-N6-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-{2-[Benzyl(méthyl)amino]éthyl}-N2-(2,3-diméthylcyclohexyl)-N6-(3,5-diméthylphényl)-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, N3-(2,3-dimethylcyclohexyl)-N7-(3,5-dimethylphenyl)-1,2,3,6,7,7a-hexahydro-2-[2-[methyl(phenylmethyl)amino]ethyl]-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: 812.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.2±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 47.73
ACD/KOC (pH 5.5): 115.85
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2436.40
ACD/KOC (pH 7.4): 5914.08
Polar Surface Area: 91 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

Click to predict properties on the Chemicalize site


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