ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanamide | C33H40N2O5

N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanamide

  • Molecular FormulaC33H40N2O5
  • Average mass544.681 Da
  • Monoisotopic mass544.293701 Da
  • ChemSpider ID3880402

More details:

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

Benzenepropanamide, N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-bis(1,1-dimethylethyl)-4-hydroxy- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-méthylphényl)-2-oxoéthyl]-3-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 156.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47553.16
ACD/KOC (pH 5.5): 77536.19
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47552.84
ACD/KOC (pH 7.4): 77535.67
Polar Surface Area: 97 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 459.4±3.0 cm3

Click to predict properties on the Chemicalize site


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