ChemSpider 2D Image | N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-propyltyrosinamide | C33H40ClN3O6

N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-propyltyrosinamide

  • Molecular FormulaC33H40ClN3O6
  • Average mass610.140 Da
  • Monoisotopic mass609.260559 Da
  • ChemSpider ID16559027

More details:

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

Carbamic acid, N-[2-[[2-[(2-chloro-6-methylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl]propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{2-[(2-Chlor-6-methylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-propyltyrosinamid [German] [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-methylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-propyltyrosinamide [ACD/IUPAC Name]
N-{2-[(2-Chloro-6-méthylphényl)amino]-1-(2-hydroxy-3-méthylphényl)-2-oxoéthyl}-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-N-propyltyrosinamide [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: 803.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.7±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: 8.09
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 8908.20
ACD/KOC (pH 5.5): 22493.32
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1294.19
ACD/KOC (pH 7.4): 3267.84
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

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