ChemSpider 2D Image | N-(2-Cyanophenyl)-N~2~,N~2~-bis{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}alaninamide | C30H33N5O3

N-(2-Cyanophenyl)-N2,N2-bis{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}alaninamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID4016511

More details:






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

N-(2-Cyanophenyl)-N2,N2-bis{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}alaninamide [ACD/IUPAC Name]
N-(2-Cyanophényl)-N2,N2-bis{2-[(2,6-diméthylphényl)amino]-2-oxoéthyl}alaninamide [French] [ACD/IUPAC Name]
N-(2-Cyanphenyl)-N2,N2-bis{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}alaninamid [German] [ACD/IUPAC Name]
Propanamide, 2-[bis[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]amino]-N-(2-cyanophenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.89
ACD/KOC (pH 5.5): 1908.14
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.07
ACD/KOC (pH 7.4): 1909.41
Polar Surface Area: 114 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

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