ChemSpider 2D Image | N-(2,4-Dimethylphenyl)-Nalpha-{2-[(4-methoxybenzoyl)amino]benzoyl}tyrosinamide | C32H31N3O5

N-(2,4-Dimethylphenyl)-Nα-{2-[(4-methoxybenzoyl)amino]benzoyl}tyrosinamide

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID2377483

More details:

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

Benzenepropanamide, N-(2,4-dimethylphenyl)-4-hydroxy-α-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]- [ACD/Index Name]
N-(2,4-Dimethylphenyl)-Nα-{2-[(4-methoxybenzoyl)amino]benzoyl}tyrosinamid [German] [ACD/IUPAC Name]
N-(2,4-Dimethylphenyl)-Nα-{2-[(4-methoxybenzoyl)amino]benzoyl}tyrosinamide [ACD/IUPAC Name]
N-(2,4-Diméthylphényl)-Nα-{2-[(4-méthoxybenzoyl)amino]benzoyl}tyrosinamide [French] [ACD/IUPAC Name]
N-[1-(2,4-DIMETHYLANILINO)-3-(4-HYDROXYPHENYL)-1-OXOPROPAN-2-YL]-2-[(4-METHOXYBENZOYL)AMINO]BENZAMIDE

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

BAS 01024719 [DBID]
ZINC00846684 [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: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2321.27
ACD/KOC (pH 5.5): 8928.25
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2313.59
ACD/KOC (pH 7.4): 8898.71
Polar Surface Area: 117 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

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