ChemSpider 2D Image | N-[2-(Butylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C30H43N3O6

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

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID16558780

More details:






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

Carbamic acid, N-[2-[[2-(butylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Butylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Butylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Butylamino)-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: 1.1±0.1 g/cm3
Boiling Point: 745.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.8±35.7 °C
Index of Refraction: 1.554
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 144.99
ACD/KOC (pH 5.5): 753.67
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 122.34
ACD/KOC (pH 7.4): 635.93
Polar Surface Area: 135 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 471.0±7.0 cm3

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