ChemSpider 2D Image | N-{1-(3,4-Dimethylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C33H41N3O6

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

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID16558785

More details:






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

Carbamic acid, N-[2-[[1-(3,4-dimethylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{1-(3,4-Dimethylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-{1-(3,4-Dimethylphenyl)-2-[(2-methylphenyl)amino]-2-oxoethyl}-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-{1-(3,4-Diméthylphényl)-2-[(2-méthylphényl)amino]-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: 794.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.1±35.7 °C
Index of Refraction: 1.575
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1174.21
ACD/KOC (pH 5.5): 5008.17
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 723.06
ACD/KOC (pH 7.4): 3083.95
Polar Surface Area: 135 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 490.6±7.0 cm3

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