ChemSpider 2D Image | MFCD03287598 | C29H38N2O6

MFCD03287598

  • Molecular FormulaC29H38N2O6
  • Average mass510.622 Da
  • Monoisotopic mass510.272980 Da
  • ChemSpider ID11969291

More details:

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

2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-(4-Butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butoxy-3-méthylbenzoyl)-1-[2-(diméthylamino)éthyl]-5-(4-éthoxy-3-méthoxyphényl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
487039-63-4 [RN]
MFCD03287598
1-[2-(dimethylamino)ethyl]-4-[(4-butoxy-3-methylphenyl)carbonyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-3-pyrrolin-2-one
4-(4-Butoxy-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 670.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±3.0 kJ/mol
    Flash Point: 359.3±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 143.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 5.44
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 1.97
    ACD/KOC (pH 5.5): 10.82
    ACD/LogD (pH 7.4): 1.51
    ACD/BCF (pH 7.4): 2.05
    ACD/KOC (pH 7.4): 11.30
    Polar Surface Area: 89 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 435.9±3.0 cm3

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