ChemSpider 2D Image | N-[2-(Benzyl{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N-isobutyl-4-methoxybenzamide | C34H39N3O4

N-[2-(Benzyl{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N-isobutyl-4-methoxybenzamide

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID3126311

More details:

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

Benzamide, 4-methoxy-N-[2-[[[1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl]methyl](phenylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)- [ACD/Index Name]
N-[2-(Benzyl{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N-isobutyl-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-[2-(Benzyl{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N-isobutyl-4-methoxybenzamide [ACD/IUPAC Name]
N-[2-(Benzyl{[1-(3-méthoxybenzyl)-1H-pyrrol-2-yl]méthyl}amino)-2-oxoéthyl]-N-isobutyl-4-méthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 739.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6247.27
ACD/KOC (pH 5.5): 18136.20
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6247.27
ACD/KOC (pH 7.4): 18136.22
Polar Surface Area: 64 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 501.4±7.0 cm3

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