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]propanamide | C32H38N2O5

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

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID3839514

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- [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]propanamid [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]propanamide [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]propanamide [French] [ACD/IUPAC Name]
N-[(Benzo[1,3]dioxol-5-ylcarbamoyl)-phenyl-methyl]-3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propionamide
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 385.6±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18150.45
ACD/KOC (pH 5.5): 38913.07
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18150.27
ACD/KOC (pH 7.4): 38912.69
Polar Surface Area: 97 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 443.1±3.0 cm3

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