ChemSpider 2D Image | 2-[5-({3-(4-Acetoxyphenyl)-1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylpentanoic acid | C36H39N3O8

2-[5-({3-(4-Acetoxyphenyl)-1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylpentanoic acid

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121015040

More details:

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

2-[5-({3-(4-Acetoxyphenyl)-1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylpentanoic acid [ACD/IUPAC Name]
2-[5-({3-(4-Acetoxyphenyl)-1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[1-[[4-(acetyloxy)phenyl]methyl]-2-[(2-methyl-2-phenylpropyl)amino]-2-oxoethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-[5-({3-(4-acétoxyphényl)-1-[(2-méthyl-2-phénylpropyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-méthylpentanoïque [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: 871.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.6±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 15.94
ACD/KOC (pH 5.5): 68.93
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 159 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 504.8±3.0 cm3

Click to predict properties on the Chemicalize site


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