ChemSpider 2D Image | N-(2-{[(1-Benzyl-1H-pyrrol-2-yl)methyl](cyclohexyl)amino}-2-oxoethyl)-4-methoxy-N-(2-methoxyethyl)benzamide | C31H39N3O4

N-(2-{[(1-Benzyl-1H-pyrrol-2-yl)methyl](cyclohexyl)amino}-2-oxoethyl)-4-methoxy-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID22585849

More details:

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

Benzamide, N-[2-[cyclohexyl[[1-(phenylmethyl)-1H-pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)- [ACD/Index Name]
N-(2-{[(1-Benzyl-1H-pyrrol-2-yl)methyl](cyclohexyl)amino}-2-oxoethyl)-4-methoxy-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[(1-Benzyl-1H-pyrrol-2-yl)methyl](cyclohexyl)amino}-2-oxoethyl)-4-methoxy-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
N-(2-{[(1-Benzyl-1H-pyrrol-2-yl)méthyl](cyclohexyl)amino}-2-oxoéthyl)-4-méthoxy-N-(2-méthoxyéthyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 708.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4758.04
ACD/KOC (pH 5.5): 14924.38
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4758.05
ACD/KOC (pH 7.4): 14924.38
Polar Surface Area: 64 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 455.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement