ChemSpider 2D Image | N-(4-{(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxo-2-butanyl}cyclohexyl)-N-methylacetamide | C17H30FN3O2

N-(4-{(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxo-2-butanyl}cyclohexyl)-N-methylacetamide

  • Molecular FormulaC17H30FN3O2
  • Average mass327.437 Da
  • Monoisotopic mass327.232208 Da
  • ChemSpider ID25042071

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

Acetamide, N-[4-[(1S,2S)-2-amino-3-[(3S)-3-fluoro-1-pyrrolidinyl]-1-methyl-3-oxopropyl]cyclohexyl]-N-methyl- [ACD/Index Name]
N-(4-{(2S,3S)-3-Amino-4-[(3S)-3-fluor-1-pyrrolidinyl]-4-oxo-2-butanyl}cyclohexyl)-N-methylacetamid [German] [ACD/IUPAC Name]
N-(4-{(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxo-2-butanyl}cyclohexyl)-N-methylacetamide [ACD/IUPAC Name]
N-(4-{(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-4-oxo-2-butanyl}cyclohexyl)-N-méthylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±27.3 °C
Index of Refraction: 1.522
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 67 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 289.6±5.0 cm3

Click to predict properties on the Chemicalize site


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