ChemSpider 2D Image | 3-({4-[(2-Acetamidoethyl)amino]-4-oxobutanoyl}amino)-4,5-dimethoxybenzoic acid | C17H23N3O7

3-({4-[(2-Acetamidoethyl)amino]-4-oxobutanoyl}amino)-4,5-dimethoxybenzoic acid

  • Molecular FormulaC17H23N3O7
  • Average mass381.380 Da
  • Monoisotopic mass381.153595 Da
  • ChemSpider ID53684645

More details:






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

3-({4-[(2-Acetamidoethyl)amino]-4-oxobutanoyl}amino)-4,5-dimethoxybenzoesäure [German] [ACD/IUPAC Name]
3-({4-[(2-Acetamidoethyl)amino]-4-oxobutanoyl}amino)-4,5-dimethoxybenzoic acid [ACD/IUPAC Name]
Acide 3-({4-[(2-acétamidoéthyl)amino]-4-oxobutanoyl}amino)-4,5-diméthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[4-[[2-(acetylamino)ethyl]amino]-1,4-dioxobutyl]amino]-4,5-dimethoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 294.0±3.0 cm3

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