ChemSpider 2D Image | 1-[3-(Dimethylamino)propyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C31H42N2O7

1-[3-(Dimethylamino)propyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H42N2O7
  • Average mass554.674 Da
  • Monoisotopic mass554.299194 Da
  • ChemSpider ID34809701

More details:

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

1-[3-(Dimethylamino)propyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[3-(Dimethylamino)propyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[3-(Diméthylamino)propyl]-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[3-(dimethylamino)propyl]-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-5-(3,4,5-trimethoxyphenyl)- [ACD/Index 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: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.6±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 7.91
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 8.41
Polar Surface Area: 98 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 477.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement