ChemSpider 2D Image | N-(2-Aminoethyl)-Nalpha-[4-(3,4-dimethoxyphenyl)butanoyl]-4-fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalaninamide | C28H38FN3O6

N-(2-Aminoethyl)-Nα-[4-(3,4-dimethoxyphenyl)butanoyl]-4-fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalaninamide

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID121670158

More details:

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

Carbamic acid, N-(2-aminoethyl)-N-[2-[[4-(3,4-dimethoxyphenyl)-1-oxobutyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2-Aminoethyl)-Nα-[4-(3,4-dimethoxyphenyl)butanoyl]-4-fluor-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-Nα-[4-(3,4-dimethoxyphenyl)butanoyl]-4-fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalaninamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-Nα-[4-(3,4-diméthoxyphényl)butanoyl]-4-fluoro-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénylalaninamide [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: 728.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 46.30
ACD/KOC (pH 7.4): 331.00
Polar Surface Area: 120 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 451.1±3.0 cm3

Click to predict properties on the Chemicalize site


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