ChemSpider 2D Image | N-Isobutyl-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide | C22H29NO5

N-Isobutyl-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID21772388

More details:

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

2H,8H-Benzo[1,2-b:3,4-b']dipyran-3-acetamide, 9,10-dihydro-5-methoxy-4,8,8-trimethyl-N-(2-methylpropyl)-2-oxo- [ACD/Index Name]
N-Isobutyl-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamid [German] [ACD/IUPAC Name]
N-Isobutyl-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide [ACD/IUPAC Name]
N-Isobutyl-2-(5-méthoxy-4,8,8-triméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-3-yl)acétamide [French] [ACD/IUPAC Name]
1014039-00-9 [RN]
2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-3-yl)-N-(2-methylpropyl)acetamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 594.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.6±3.0 kJ/mol
    Flash Point: 313.1±30.1 °C
    Index of Refraction: 1.528
    Molar Refractivity: 105.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 4.79
    ACD/BCF (pH 5.5): 2569.95
    ACD/KOC (pH 5.5): 9603.28
    ACD/LogD (pH 7.4): 4.79
    ACD/BCF (pH 7.4): 2569.95
    ACD/KOC (pH 7.4): 9603.28
    Polar Surface Area: 74 Å2
    Polarizability: 41.9±0.5 10-24cm3
    Surface Tension: 38.1±3.0 dyne/cm
    Molar Volume: 343.3±3.0 cm3

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