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

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

  • Molecular FormulaC29H40N2O4
  • Average mass480.639 Da
  • Monoisotopic mass480.298798 Da
  • ChemSpider ID29655473

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-N-Butyl-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-Butyl-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-N-Butyl-5-[(2,3-dihydro-1H-indén-5-yloxy)méthyl]-1-(3,4-diméthoxybenzyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-butyl-5-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-, (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: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 24.67
ACD/KOC (pH 5.5): 88.25
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1120.18
ACD/KOC (pH 7.4): 4007.14
Polar Surface Area: 60 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 432.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement