ChemSpider 2D Image | (3S)-N-(4-Methoxybenzyl)-1-(4-{2-[(4-methylphenyl)amino]-2-oxoethoxy}phenyl)-5-oxo-3-pyrrolidinecarboxamide | C28H29N3O5

(3S)-N-(4-Methoxybenzyl)-1-(4-{2-[(4-methylphenyl)amino]-2-oxoethoxy}phenyl)-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H29N3O5
  • Average mass487.547 Da
  • Monoisotopic mass487.210724 Da
  • ChemSpider ID129231605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-(4-Methoxybenzyl)-1-(4-{2-[(4-methylphenyl)amino]-2-oxoethoxy}phenyl)-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-(4-Methoxybenzyl)-1-(4-{2-[(4-methylphenyl)amino]-2-oxoethoxy}phenyl)-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-N-(4-Méthoxybenzyl)-1-(4-{2-[(4-méthylphényl)amino]-2-oxoéthoxy}phényl)-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-[(4-methoxyphenyl)methyl]-1-[4-[2-[(4-methylphenyl)amino]-2-oxoethoxy]phenyl]-5-oxo-, (3S)- [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: 859.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 473.3±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.94
ACD/KOC (pH 5.5): 697.87
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 65.95
ACD/KOC (pH 7.4): 697.89
Polar Surface Area: 97 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 383.0±3.0 cm3

Click to predict properties on the Chemicalize site


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