ChemSpider 2D Image | N-[(2S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2,4-dimethoxybenzamide | C29H41N3O6

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

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID23166211

  • defined stereocentres - 1 of 3 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-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2,4-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2,4-dimethoxybenzamide [ACD/IUPAC Name]
N-[(2S)-1-{[5-(Butylamino)-3-hydroxy-5-oxo-1-phényl-2-pentanyl]amino}-3-méthyl-1-oxo-2-butanyl]-2,4-diméthoxybenzamide [French] [ACD/IUPAC Name]
N-[(2S)-1-{[5-(butylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]-2,4-dimethoxybenzamide (non-preferred name)
CHEMBL427946
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427946/
N-[(S)-1-(1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-2-methyl-propyl]-2,4-dimethoxy-benzamide
PS-725074

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

Density: 1.1±0.1 g/cm3
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.71
ACD/KOC (pH 5.5): 1082.18
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.71
ACD/KOC (pH 7.4): 1082.17
Polar Surface Area: 126 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 464.0±3.0 cm3

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