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

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

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID16558784

More details:






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

Carbamic acid, N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Benzylamino)-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: 785.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.8±35.7 °C
Index of Refraction: 1.575
Molar Refractivity: 162.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 126.08
ACD/KOC (pH 5.5): 569.55
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 105.82
ACD/KOC (pH 7.4): 478.04
Polar Surface Area: 135 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 491.5±7.0 cm3

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