ChemSpider 2D Image | N-[(2S,3S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-pentanyl]-2,4-dimethoxybenzamide | C30H43N3O6

N-[(2S,3S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-pentanyl]-2,4-dimethoxybenzamide

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID23166126

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

N-[(2S)-1-{[5-(butylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxopentan-2-yl]-2,4-dimethoxybenzamide (non-preferred name)
N-[(2S,3S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-pentanyl]-2,4-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-pentanyl]-2,4-dimethoxybenzamide [ACD/IUPAC Name]
N-[(2S,3S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phényl-2-pentanyl]amino}-3-méthyl-1-oxo-2-pentanyl]-2,4-diméthoxybenzamide [French] [ACD/IUPAC Name]
CHEMBL74562
N-[(1S,2S)-1-(1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-2-methyl-butyl]-2,4-dimethoxy-benzamide
PS-662477

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

Density: 1.1±0.1 g/cm3
Boiling Point: 819.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.95
ACD/KOC (pH 5.5): 1727.52
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.95
ACD/KOC (pH 7.4): 1727.52
Polar Surface Area: 126 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 480.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement