ChemSpider 2D Image | N-[(3-Methoxyphenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide | C29H47N3O4

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

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID23150246

  • 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-methoxyphenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl- [ACD/Index Name]
N-[(3-Methoxyphenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[(3-Methoxyphenyl)acetyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide [ACD/IUPAC Name]
N-[2-(3-Méthoxyphényl)acétyl]-L-leucyl-N-butyl-3-cyclohexyl-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
(S)-2-[2-(3-Methoxy-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: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.515
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4633.37
ACD/KOC (pH 5.5): 14643.41
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4633.37
ACD/KOC (pH 7.4): 14643.41
Polar Surface Area: 88 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 477.2±3.0 cm3

Click to predict properties on the Chemicalize site


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