ChemSpider 2D Image | N-Benzyl-N~2~-(3-ethoxypropyl)-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}-N~2~-[(4-methylphenyl)carbamoyl]glycinamide | C35H42N4O4

N-Benzyl-N2-(3-ethoxypropyl)-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-methylphenyl)carbamoyl]glycinamide

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID4375852

More details:

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

Acetamide, 2-[(3-ethoxypropyl)[[(4-methylphenyl)amino]carbonyl]amino]-N-[[1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N2-(3-ethoxypropyl)-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-methylphenyl)carbamoyl]glycinamid [German] [ACD/IUPAC Name]
N-Benzyl-N2-(3-ethoxypropyl)-N-{[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}-N2-[(4-methylphenyl)carbamoyl]glycinamide [ACD/IUPAC Name]
N-Benzyl-N2-(3-éthoxypropyl)-N-{[1-(3-méthoxybenzyl)-1H-pyrrol-2-yl]méthyl}-N2-[(4-méthylphényl)carbamoyl]glycinamide [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: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 172.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6144.69
ACD/KOC (pH 5.5): 17922.43
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6144.82
ACD/KOC (pH 7.4): 17922.81
Polar Surface Area: 76 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 522.9±7.0 cm3

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