ChemSpider 2D Image | 1-{Benzyl[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-N-(2,6-dimethylphenyl)cyclopentanecarboxamide | C31H31N3O4

1-{Benzyl[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-N-(2,6-dimethylphenyl)cyclopentanecarboxamide

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID2364231

More details:

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

1-{Benzyl[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-N-(2,6-dimethylphenyl)cyclopentancarboxamid [German] [ACD/IUPAC Name]
1-{Benzyl[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-N-(2,6-dimethylphenyl)cyclopentanecarboxamide [ACD/IUPAC Name]
1-{Benzyl[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétyl]amino}-N-(2,6-diméthylphényl)cyclopentanecarboxamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, N-[1-[[(2,6-dimethylphenyl)amino]carbonyl]cyclopentyl]-1,3-dihydro-1,3-dioxo-N-(phenylmethyl)- [ACD/Index Name]
1-{Benzyl-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetyl]-amino}-cyclopentanecarboxylic acid (2,6-dimethyl-phenyl)-amide

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

BAS 00510838 [DBID]
ZINC02025352 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3545.38
ACD/KOC (pH 5.5): 12089.66
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3546.17
ACD/KOC (pH 7.4): 12092.36
Polar Surface Area: 87 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 389.6±5.0 cm3

Click to predict properties on the Chemicalize site


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