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

N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-methylpropanamide

  • Molecular FormulaC33H40N2O5
  • Average mass544.681 Da
  • Monoisotopic mass544.293701 Da
  • ChemSpider ID3880530

More details:

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

Benzenepropanamide, N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-3,5-bis(1,1-dimethylethyl)-4-hydroxy-N-methyl- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-methylpropanamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-N-methylpropanamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-2-oxo-1-phényléthyl]-3-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-N-méthylpropanamide [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: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 156.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30857.98
ACD/KOC (pH 5.5): 56894.61
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30856.96
ACD/KOC (pH 7.4): 56892.74
Polar Surface Area: 88 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 458.1±3.0 cm3

Click to predict properties on the Chemicalize site


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