ChemSpider 2D Image | N-[2-(Cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide | C32H45N3O6

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

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID16558783

More details:






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

Carbamic acid, N-[2-[[2-(cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl](2-hydroxyethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(Cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinamide [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-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: 774.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.3±35.7 °C
Index of Refraction: 1.578
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 324.50
ACD/KOC (pH 5.5): 1405.34
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 272.85
ACD/KOC (pH 7.4): 1181.66
Polar Surface Area: 135 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 475.4±7.0 cm3

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