ChemSpider 2D Image | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | C17H25N3O2

N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide

  • Molecular FormulaC17H25N3O2
  • Average mass303.399 Da
  • Monoisotopic mass303.194672 Da
  • ChemSpider ID25057430
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Cyclohexanecarboxamide, N-[(1S)-2-methyl-1-[(4-pyridinylamino)carbonyl]propyl]- [ACD/Index Name]
N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
N-[(2S)-3-Methyl-1-oxo-1-(4-pyridinylamino)-2-butanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Methyl-1-oxo-1-(4-pyridinylamino)-2-butanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(2S)-3-Méthyl-1-oxo-1-(4-pyridinylamino)-2-butanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
(2S)-2-(cyclohexylformamido)-3-methyl-N-(pyridin-4-yl)butanamide
CII

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±25.4 °C
Index of Refraction: 1.558
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 6.40
ACD/KOC (pH 5.5): 94.19
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.09
ACD/KOC (pH 7.4): 295.69
Polar Surface Area: 71 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 267.5±3.0 cm3

Click to predict properties on the Chemicalize site






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