ChemSpider 2D Image | N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(3,4-dimethylphenyl)-2-oxoethyl}-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C33H40ClN3O6

N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(3,4-dimethylphenyl)-2-oxoethyl}-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide

  • Molecular FormulaC33H40ClN3O6
  • Average mass610.140 Da
  • Monoisotopic mass609.260559 Da
  • ChemSpider ID16558787

More details:






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

Carbamic acid, N-[2-[[2-[(2-chloro-6-methylphenyl)amino]-1-(3,4-dimethylphenyl)-2-oxoethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{2-[(2-Chlor-6-methylphenyl)amino]-1-(3,4-dimethylphenyl)-2-oxoethyl}-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(3,4-dimethylphenyl)-2-oxoethyl}-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-méthylphényl)amino]-1-(3,4-diméthylphényl)-2-oxoéthyl}-N-(2-hydroxyéthyl)-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 819.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.7±37.1 °C
Index of Refraction: 1.582
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4323.62
ACD/KOC (pH 5.5): 13349.42
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 756.44
ACD/KOC (pH 7.4): 2335.54
Polar Surface Area: 135 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 499.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement