ChemSpider 2D Image | N-{2-[(1,3-Benzodioxol-5-ylmethyl){2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}amino]-2-oxoethyl}benzamide | C30H33N3O6

N-{2-[(1,3-Benzodioxol-5-ylmethyl){2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}amino]-2-oxoethyl}benzamide

  • Molecular FormulaC30H33N3O6
  • Average mass531.599 Da
  • Monoisotopic mass531.236938 Da
  • ChemSpider ID3176955

More details:

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

Benzeneacetamide, α-[(1,3-benzodioxol-5-ylmethyl)[2-(benzoylamino)acetyl]amino]-N-(3-ethoxypropyl)- [ACD/Index Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl){2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}amino]-2-oxoethyl}benzamid [German] [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl){2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}amino]-2-oxoethyl}benzamide [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylméthyl){2-[(3-éthoxypropyl)amino]-2-oxo-1-phényléthyl}amino]-2-oxoéthyl}benzamide [French] [ACD/IUPAC Name]
1031257-35-8 [RN]
N-({Benzo[1,3]dioxol-5-ylmethyl-[(3-ethoxy-propylcarbamoyl)-phenyl-methyl]-carbamoyl}-methyl)-benzamide
N-[2-[1,3-benzodioxol-5-ylmethyl-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 810.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.8±3.0 kJ/mol
    Flash Point: 443.9±34.3 °C
    Index of Refraction: 1.596
    Molar Refractivity: 145.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 3.82
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 109.57
    ACD/KOC (pH 5.5): 1003.77
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 109.57
    ACD/KOC (pH 7.4): 1003.77
    Polar Surface Area: 106 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 428.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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