ChemSpider 2D Image | N-[(3-Aminophenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide | C28H46N4O3

N-[(3-Aminophenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide

  • Molecular FormulaC28H46N4O3
  • Average mass486.690 Da
  • Monoisotopic mass486.356995 Da
  • ChemSpider ID23150272

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-[2-(3-aminophenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl- [ACD/Index Name]
N-[(3-Aminophenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[(3-Aminophenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide [ACD/IUPAC Name]
N-[2-(3-Aminophényl)acétyl]-L-leucyl-N-butyl-3-cyclohexyl-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
(S)-2-[2-(3-Amino-phenyl)-acetylamino]-4-methyl-pentanoic acid [(S)-1-(butyl-methyl-carbamoyl)-2-cyclohexyl-ethyl]-amide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 921.26
ACD/KOC (pH 5.5): 4531.07
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 976.69
ACD/KOC (pH 7.4): 4803.66
Polar Surface Area: 105 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

Click to predict properties on the Chemicalize site


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