ChemSpider 2D Image | 3-{2-[Butyl(methyl)amino]ethyl}-N~2~-cyclohexyl-N~6~-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C30H42N4O4

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

  • Molecular FormulaC30H42N4O4
  • Average mass522.679 Da
  • Monoisotopic mass522.320618 Da
  • ChemSpider ID20225576

More details:

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

3-{2-[Butyl(methyl)amino]ethyl}-N2-cyclohexyl-N6-(4-methylphenyl)-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}-N2-cyclohexyl-N6-(4-methylphenyl)-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}-N2-cyclohexyl-N6-(4-méthylphényl)-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]-N3-cyclohexyl-1,2,3,6,7,7a-hexahydro-N7-(4-methylphenyl)-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: 777.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.7±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 51.18
Polar Surface Area: 91 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 426.2±5.0 cm3

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