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Search term: MF = 'C_{21}H_{21}NO_{7}'
ChemSpider 2D Image | 4-{[4-({[1-(4-Methoxyphenyl)-1-oxo-2-propanyl]oxy}carbonyl)phenyl]amino}-4-oxobutanoic acid | C21H21NO7

4-{[4-({[1-(4-Methoxyphenyl)-1-oxo-2-propanyl]oxy}carbonyl)phenyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC21H21NO7
  • Average mass399.394 Da
  • Monoisotopic mass399.131805 Da
  • ChemSpider ID26457776

More details:

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

4-{[4-({[1-(4-Methoxyphenyl)-1-oxo-2-propanyl]oxy}carbonyl)phenyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[4-({[1-(4-Methoxyphenyl)-1-oxo-2-propanyl]oxy}carbonyl)phenyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[4-({[1-(4-méthoxyphényl)-1-oxo-2-propanyl]oxy}carbonyl)phényl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3-carboxy-1-oxopropyl)amino]-, 1-[2-(4-methoxyphenyl)-1-methyl-2-oxoethyl] ester [ACD/Index Name]
3-{[4-({[1-(4-METHOXYPHENYL)-1-OXOPROPAN-2-YL]OXY}CARBONYL)PHENYL]CARBAMOYL}PROPANOIC ACID
4-((4-(((1-(4-Methoxyphenyl)-1-oxopropan-2-yl)oxy)carbonyl)phenyl)amino)-4-oxobutanoic acid
4-[(4-([2-(4-Methoxyphenyl)-1-methyl-2-oxoethoxy]carbonyl)phenyl)amino]-4-oxobutanoic acid
4-[(4-{[2-(4-methoxyphenyl)-1-methyl-2-oxoethoxy]carbonyl}phenyl)amino]-4-oxobutanoic acid
4-[(4-{[2-(4-Methoxyphenyl)-1-methyl-2-oxoethoxy]-carbonyl}phenyl)amino]-4-oxobutanoic acid
4-[4-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxycarbonylanilino]-4-oxobutanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 705.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.3±3.0 kJ/mol
    Flash Point: 380.2±32.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 104.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 8.35
    ACD/KOC (pH 5.5): 85.64
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.35
    Polar Surface Area: 119 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 304.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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