ChemSpider 2D Image | (4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-(3-chlorobenzyl)-4-[(4-methoxy-2,3-dimethylbenzyl)amino]-L-prolinamide | C31H36ClN3O4

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-(3-chlorobenzyl)-4-[(4-methoxy-2,3-dimethylbenzyl)amino]-L-prolinamide

  • Molecular FormulaC31H36ClN3O4
  • Average mass550.088 Da
  • Monoisotopic mass549.239441 Da
  • ChemSpider ID22862590

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-(3-chlorbenzyl)-4-[(4-methoxy-2,3-dimethylbenzyl)amino]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-(3-chlorobenzyl)-4-[(4-methoxy-2,3-dimethylbenzyl)amino]-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)éthyl]-1-(3-chlorobenzyl)-4-[(4-méthoxy-2,3-diméthylbenzyl)amino]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[(3-chlorophenyl)methyl]-4-[[(4-methoxy-2,3-dimethylphenyl)methyl]amino]-, (2S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 14.44
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 138.33
ACD/KOC (pH 7.4): 481.39
Polar Surface Area: 72 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 429.0±5.0 cm3

Click to predict properties on the Chemicalize site


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