ChemSpider 2D Image | Methyl N-{(4-ethylphenyl)[hexyl(N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]acetyl}glycinate | C29H46N4O7

Methyl N-{(4-ethylphenyl)[hexyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]acetyl}glycinate

  • Molecular FormulaC29H46N4O7
  • Average mass562.698 Da
  • Monoisotopic mass562.336670 Da
  • ChemSpider ID16555867

More details:

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

Glycine, N-[2-[[5-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,5-dioxopentyl]hexylamino]-2-(4-ethylphenyl)acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{(4-ethylphenyl)[hexyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]acetyl}glycinate [ACD/IUPAC Name]
Methyl-N-{(4-ethylphenyl)[hexyl(N2-{[(2-methyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]acetyl}glycinat [German] [ACD/IUPAC Name]
N-{2-(4-Éthylphényl)-2-[hexyl(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}glutaminyl)amino]acétyl}glycinate de méthyle [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: 707.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.537
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 7.94
ACD/KOC (pH 5.5): 30.26
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.24
ACD/KOC (pH 7.4): 16.17
Polar Surface Area: 165 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 486.7±7.0 cm3

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