ChemSpider 2D Image | N-(4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-1-(3-methoxybenzyl)-2-oxo-4-imidazolidinecarboxamide | C31H39N5O4

N-(4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-1-(3-methoxybenzyl)-2-oxo-4-imidazolidinecarboxamide

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID22376097

More details:

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

4-Imidazolidinecarboxamide, N-[3-[[[3-(dimethylamino)phenyl]methyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-1-[(3-methoxyphenyl)methyl]-2-oxo- [ACD/Index Name]
N-(4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-1-(3-methoxybenzyl)-2-oxo-4-imidazolidincarboxamid [German] [ACD/IUPAC Name]
N-(4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-1-(3-methoxybenzyl)-2-oxo-4-imidazolidinecarboxamide [ACD/IUPAC Name]
N-(4-{[3-(Diméthylamino)benzyl]amino}-3-hydroxy-1-phényl-2-butanyl)-1-(3-méthoxybenzyl)-2-oxo-4-imidazolidinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 838.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 72.16
Polar Surface Area: 106 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 447.2±3.0 cm3

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