ChemSpider 2D Image | (4S)-4-(Adamantan-2-ylamino)-1-(3-chlorobenzyl)-N-methyl-L-prolinamide | C23H32ClN3O

(4S)-4-(Adamantan-2-ylamino)-1-(3-chlorobenzyl)-N-methyl-L-prolinamide

  • Molecular FormulaC23H32ClN3O
  • Average mass401.973 Da
  • Monoisotopic mass401.223389 Da
  • ChemSpider ID23040003

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(4S)-4-(Adamantan-2-ylamino)-1-(3-chlorbenzyl)-N-methyl-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-4-(Adamantan-2-ylamino)-1-(3-chlorobenzyl)-N-methyl-L-prolinamide [ACD/IUPAC Name]
(4S)-4-(Adamantan-2-ylamino)-1-(3-chlorobenzyl)-N-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(3-chlorophenyl)methyl]-N-methyl-4-(tricyclo[3.3.1.13,7]dec-2-ylamino)-, (2S,4S)- [ACD/Index Name]
(4S)-4-(2-adamantylamino)-1-(3-chlorobenzyl)-N-methyl-L-prolinamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 30.01
Polar Surface Area: 44 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 326.3±5.0 cm3

Click to predict properties on the Chemicalize site


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