ChemSpider 2D Image | (4S)-1-(2-Chlorobenzyl)-4-[(cyclohexylmethyl)amino]-N-(2-methoxyethyl)-L-prolinamide | C22H34ClN3O2

(4S)-1-(2-Chlorobenzyl)-4-[(cyclohexylmethyl)amino]-N-(2-methoxyethyl)-L-prolinamide

  • Molecular FormulaC22H34ClN3O2
  • Average mass407.977 Da
  • Monoisotopic mass407.233948 Da
  • ChemSpider ID22866177

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-(2-Chlorbenzyl)-4-[(cyclohexylmethyl)amino]-N-(2-methoxyethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-(2-Chlorobenzyl)-4-[(cyclohexylmethyl)amino]-N-(2-methoxyethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-1-(2-Chlorobenzyl)-4-[(cyclohexylméthyl)amino]-N-(2-méthoxyéthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2-chlorophenyl)methyl]-4-[(cyclohexylmethyl)amino]-N-(2-methoxyethyl)-, (2S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 15.07
Polar Surface Area: 54 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 351.4±5.0 cm3

Click to predict properties on the Chemicalize site


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