ChemSpider 2D Image | N-(2-{Benzyl[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)cyclohexanecarboxamide | C31H38N2O5

N-(2-{Benzyl[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)cyclohexanecarboxamide

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID4350727

More details:

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

Cyclohexanecarboxamide, N-(3-methoxypropyl)-N-[2-[[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl](phenylmethyl)amino]-2-oxoethyl]- [ACD/Index Name]
N-(2-{Benzyl[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-(2-{Benzyl[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-(2-{Benzyl[(6-méthyl-4-oxo-4H-chromén-3-yl)méthyl]amino}-2-oxoéthyl)-N-(3-méthoxypropyl)cyclohexanecarboxamide [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: 700.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 145.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1595.88
ACD/KOC (pH 5.5): 6828.17
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1595.88
ACD/KOC (pH 7.4): 6828.18
Polar Surface Area: 76 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 439.3±3.0 cm3

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