ChemSpider 2D Image | N-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-hydroxy-3-methylbutanamide | C23H35ClN2O4

N-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-hydroxy-3-methylbutanamide

  • Molecular FormulaC23H35ClN2O4
  • Average mass438.988 Da
  • Monoisotopic mass438.228546 Da
  • ChemSpider ID30813811
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Butanamide, N-[(1R)-1-[[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]carbonyl]-2-methylpropyl]-3-hydroxy-3-methyl- [ACD/Index Name]
N-{(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-hydroxy-3-methylbutanamide [ACD/IUPAC Name]
N-{(2R)-1-[(4S)-4-(4-Chlorophényl)-4-hydroxy-3,3-diméthyl-1-pipéridinyl]-3-méthyl-1-oxo-2-butanyl}-3-hydroxy-3-méthylbutanamide [French] [ACD/IUPAC Name]
N-{(2r)-1-[(4s)-4-(4-Chlorophenyl)-4-Hydroxy-3,3-Dimethylpiperidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl}-3-Hydroxy-3-Methylbutanamide
N-{(2R)-1-[(4S)-4-(4-Chlorphenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl]-3-methyl-1-oxo-2-butanyl}-3-hydroxy-3-methylbutanamid [German] [ACD/IUPAC Name]
10.1016/j.bmcl.2013.04.079
2Q4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 638.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.56
ACD/KOC (pH 5.5): 754.66
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.56
ACD/KOC (pH 7.4): 754.66
Polar Surface Area: 90 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 375.0±3.0 cm3

Click to predict properties on the Chemicalize site






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