ChemSpider 2D Image | 3-Cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | C21H30ClN3O2

3-Cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

  • Molecular FormulaC21H30ClN3O2
  • Average mass391.935 Da
  • Monoisotopic mass391.202667 Da
  • ChemSpider ID25052858

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Cyclohexyl-D-alanyl-N-(3-chlorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
3-Cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide [ACD/IUPAC Name]
3-Cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 3-cyclohexyl-D-alanyl-N-[(3-chlorophenyl)methyl]- [ACD/Index Name]
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
64U

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 12.62
ACD/KOC (pH 7.4): 102.42
Polar Surface Area: 75 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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