ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R)-2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-hydroxybenzamide | C29H32N2O7

N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R)-2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-hydroxybenzamide

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID129232398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, α-[(1,3-benzodioxol-5-ylmethyl)(2-hydroxybenzoyl)amino]-N-(3-ethoxypropyl)-4-methoxy-, (αR)- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R)-2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-hydroxybenzamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R)-2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl]-2-hydroxybenzamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-[(1R)-2-[(3-éthoxypropyl)amino]-1-(4-méthoxyphényl)-2-oxoéthyl]-2-hydroxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 420.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.30
ACD/KOC (pH 5.5): 1790.57
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 194.27
ACD/KOC (pH 7.4): 1412.37
Polar Surface Area: 107 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

Click to predict properties on the Chemicalize site


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