ChemSpider 2D Image | N-Isobutyl-N-{2-[{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,3-benzodioxole-5-carboxamide | C31H39N3O5

N-Isobutyl-N-{2-[{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID2867524

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-[(1,1-dimethylethyl)[[1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)- [ACD/Index Name]
N-Isobutyl-N-{2-[{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-Isobutyl-N-{2-[{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-Isobutyl-N-{2-[{[1-(3-méthoxybenzyl)-1H-pyrrol-2-yl]méthyl}(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-1,3-benzodioxole-5-carboxamide [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: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 738.22
ACD/KOC (pH 5.5): 3932.33
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 738.22
ACD/KOC (pH 7.4): 3932.33
Polar Surface Area: 73 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 463.4±7.0 cm3

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