ChemSpider 2D Image | 4-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide | C30H33N3O6

4-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide

  • Molecular FormulaC30H33N3O6
  • Average mass531.599 Da
  • Monoisotopic mass531.236938 Da
  • ChemSpider ID2698457

More details:

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

4-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamid [German] [ACD/IUPAC Name]
4-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide [ACD/IUPAC Name]
4-Acétamido-N-(1,3-benzodioxol-5-ylméthyl)-N-{2-[(3-éthoxypropyl)amino]-2-oxo-1-phényléthyl}benzamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[4-(acetylamino)benzoyl](1,3-benzodioxol-5-ylmethyl)amino]-N-(3-ethoxypropyl)- [ACD/Index Name]
1024006-87-8 [RN]
4-(acetylamino)-N-(1,3-benzodioxol-5-ylmethyl)-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}benzamide
4-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]benzamide
4-Acetylamino-N-benzo[1,3]dioxol-5-ylmethyl-N-[(3-ethoxy-propylcarbamoyl)-phenyl-methyl]-benzamide
C094-2159

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

NCGC00103752-01 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 820.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.2±3.0 kJ/mol
    Flash Point: 449.8±34.3 °C
    Index of Refraction: 1.614
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 94.49
    ACD/KOC (pH 5.5): 902.78
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.49
    ACD/KOC (pH 7.4): 902.78
    Polar Surface Area: 106 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 422.5±3.0 cm3

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