ChemSpider 2D Image | 3-{2-[Butyl(methyl)amino]ethyl}-N~6~-(3-methoxyphenyl)-N~2~-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C31H44N4O5

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

  • Molecular FormulaC31H44N4O5
  • Average mass552.705 Da
  • Monoisotopic mass552.331177 Da
  • ChemSpider ID22467601

More details:

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

3-{2-[Butyl(methyl)amino]ethyl}-N6-(3-methoxyphenyl)-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-{2-[Butyl(methyl)amino]ethyl}-N6-(3-methoxyphenyl)-N2-(2-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-{2-[Butyl(méthyl)amino]éthyl}-N6-(3-méthoxyphényl)-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-[2-(butylmethylamino)ethyl]-1,2,3,6,7,7a-hexahydro-N7-(3-methoxyphenyl)-N3-(2-methylcyclohexyl)-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: 793.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 13.52
ACD/KOC (pH 7.4): 78.32
Polar Surface Area: 100 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 448.8±5.0 cm3

Click to predict properties on the Chemicalize site


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