ChemSpider 2D Image | 4-[2-({4-[1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid | C31H37NO5

4-[2-({4-[1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID8544258

More details:

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

4-[2-({4-[1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butanoic acid [ACD/IUPAC Name]
4-[2-({4-[1-(4-Isobutylphenyl)ethoxy]-2,3-dimethylbenzoyl}amino)phenoxy]butansäure [German] [ACD/IUPAC Name]
4-{2-[(2,3-dimethyl-4-{1-[4-(2-methylpropyl)phenyl]ethoxy}benzoyl)amino]phenoxy}butanoic acid
Acide 4-[2-({4-[1-(4-isobutylphényl)éthoxy]-2,3-diméthylbenzoyl}amino)phénoxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[2-[[2,3-dimethyl-4-[1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]- [ACD/Index Name]
119348-12-8 [RN]
4-(2-{4-[1-(4-Isobutyl-phenyl)-ethoxy]-2,3-dimethyl-benzoylamino}-phenoxy)-butyric acid
4-[2-[[2,3-dimethyl-4-[1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoic acid
5??-reductase-IN-1
5|A-Reductase-IN-1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 631.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±3.0 kJ/mol
    Flash Point: 335.5±31.5 °C
    Index of Refraction: 1.588
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 7.56
    ACD/LogD (pH 5.5): 5.82
    ACD/BCF (pH 5.5): 9143.47
    ACD/KOC (pH 5.5): 12642.07
    ACD/LogD (pH 7.4): 4.02
    ACD/BCF (pH 7.4): 143.67
    ACD/KOC (pH 7.4): 198.64
    Polar Surface Area: 85 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 437.2±3.0 cm3

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