ChemSpider 2D Image | (3S)-1-(2,4-Dimethoxyphenyl)-N-(3-methoxypropyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide | C27H41N3O5

(3S)-1-(2,4-Dimethoxyphenyl)-N-(3-methoxypropyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID58174811

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-1-(2,4-Dimethoxyphenyl)-N-(3-methoxypropyl)-N-(octahydro-2H-chinolizin-1-ylmethyl)-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-1-(2,4-Dimethoxyphenyl)-N-(3-methoxypropyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-1-(2,4-Diméthoxyphényl)-N-(3-méthoxypropyl)-N-(octahydro-2H-quinolizin-1-ylméthyl)-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-N-[(octahydro-2H-quinolizin-1-yl)methyl]-5-oxo-, (3S)- [ACD/Index Name]
1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-5-oxopyrrolidine-3-carboxamide
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 72 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

Click to predict properties on the Chemicalize site


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