ChemSpider 2D Image | N~2~-Cyclohexyl-N~6~-(3,5-dimethylphenyl)-4-oxo-3-[3-(1-piperidinyl)propyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C32H44N4O4

N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[3-(1-piperidinyl)propyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID20225500

More details:

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

3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, N3-cyclohexyl-N7-(3,5-dimethylphenyl)-1,2,3,6,7,7a-hexahydro-1-oxo-2-[3-(1-piperidinyl)propyl]- [ACD/Index Name]
N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[3-(1-piperidinyl)propyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,5-dimethylphenyl)-4-oxo-3-[3-(1-piperidinyl)propyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
N2-Cyclohexyl-N6-(3,5-diméthylphényl)-4-oxo-3-[3-(1-pipéridinyl)propyl]-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: 1.3±0.1 g/cm3
Boiling Point: 814.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 6.20
ACD/KOC (pH 7.4): 34.54
Polar Surface Area: 91 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 439.0±5.0 cm3

Click to predict properties on the Chemicalize site


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