ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,5-piperidinedicarboxamide | C30H39N5O5

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,5-piperidinedicarboxamide

  • Molecular FormulaC30H39N5O5
  • Average mass549.661 Da
  • Monoisotopic mass549.295105 Da
  • ChemSpider ID29654680

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-1-(3,4-diméthoxybenzyl)-N'-[2-(2-oxo-1-imidazolidinyl)éthyl]-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
3,5-Piperidinedicarboxamide, N3-(2,3-dihydro-1H-inden-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-N5-[2-(2-oxo-1-imidazolidinyl)ethyl]-, (3R,5S)- [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: 845.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 465.0±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 22.56
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.19
ACD/KOC (pH 7.4): 285.63
Polar Surface Area: 112 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement