ChemSpider 2D Image | N-[2-(Benzylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C32H39N3O7

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

  • Molecular FormulaC32H39N3O7
  • Average mass577.668 Da
  • Monoisotopic mass577.278809 Da
  • ChemSpider ID16558829

More details:

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

Carbamic acid, N-[2-[(2-hydroxyethyl)[1-(4-hydroxy-3-methylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Benzylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Benzylamino)-1-(4-hydroxy-3-méthylphényl)-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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 806.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.4±37.1 °C
Index of Refraction: 1.585
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 51.87
ACD/KOC (pH 5.5): 330.06
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 43.02
ACD/KOC (pH 7.4): 273.76
Polar Surface Area: 155 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 473.5±7.0 cm3

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