ChemSpider 2D Image | N-[(2R)-2-Hydroxy-2-phenylpropanoyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide | C29H47N3O4

N-[(2R)-2-Hydroxy-2-phenylpropanoyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID23150673

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(2R)-2-hydroxy-1-oxo-2-phenylpropyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl- [ACD/Index Name]
N-[(2R)-2-Hydroxy-2-phenylpropanoyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2R)-2-Hydroxy-2-phenylpropanoyl]-L-leucyl-N-butyl-3-cyclohexyl-N-methyl-L-alaninamide [ACD/IUPAC Name]
N-[(2R)-2-Hydroxy-2-phénylpropanoyl]-L-leucyl-N-butyl-3-cyclohexyl-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
(S)-2-((R)-2-Hydroxy-2-phenyl-propionylamino)-4-methyl-pentanoic acid [(S)-1-(butyl-methyl-carbamoyl)-2-cyclohexyl-ethyl]-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418107/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.8±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4006.15
ACD/KOC (pH 5.5): 13195.48
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4006.08
ACD/KOC (pH 7.4): 13195.28
Polar Surface Area: 99 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 468.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement