ChemSpider 2D Image | 1-[2-(Diethylamino)ethyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C33H46N2O4

1-[2-(Diethylamino)ethyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID34797594

More details:

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

1-[2-(Diethylamino)ethyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Diethylamino)ethyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-méthyl-2-propanyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy- [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: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 81.87
ACD/KOC (pH 5.5): 155.59
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 87.48
ACD/KOC (pH 7.4): 166.24
Polar Surface Area: 70 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 488.5±3.0 cm3

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