ChemSpider 2D Image | (3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-isobutyl-3-piperidinecarboxamide | C29H40N2O4

(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-isobutyl-3-piperidinecarboxamide

  • Molecular FormulaC29H40N2O4
  • Average mass480.639 Da
  • Monoisotopic mass480.298798 Da
  • ChemSpider ID29655981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-isobutyl-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-isobutyl-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-5-[(2,3-Dihydro-1H-indén-5-yloxy)méthyl]-1-(3,4-diméthoxybenzyl)-N-isobutyl-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 5-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-, (3R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.2±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 21.63
ACD/KOC (pH 5.5): 80.49
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 979.99
ACD/KOC (pH 7.4): 3646.73
Polar Surface Area: 60 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 432.3±3.0 cm3

Click to predict properties on the Chemicalize site


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