ChemSpider 2D Image | N-[1-(3,4-Dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C31H45N3O6

N-[1-(3,4-Dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID16558782

More details:






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

Carbamic acid, N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[1-(3,4-Dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[1-(3,4-Dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[1-(3,4-Diméthylphényl)-2-oxo-2-(pentylamino)éthyl]-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: 1.1±0.1 g/cm3
Boiling Point: 752.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 409.1±35.7 °C
Index of Refraction: 1.551
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1191.04
ACD/KOC (pH 5.5): 3472.39
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1005.52
ACD/KOC (pH 7.4): 2931.50
Polar Surface Area: 135 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 487.1±7.0 cm3

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