ChemSpider 2D Image | N-[2-(3-Isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nalpha-(2-methyl-3,5-dinitrobenzoyl)tyrosinamide | C29H30N4O9

N-[2-(3-Isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-(2-methyl-3,5-dinitrobenzoyl)tyrosinamide

  • Molecular FormulaC29H30N4O9
  • Average mass578.570 Da
  • Monoisotopic mass578.201294 Da
  • ChemSpider ID121159329

More details:

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

Benzenepropanamide, 4-hydroxy-N-[2-[4-methoxy-3-(1-methylethyl)phenyl]-2-oxoethyl]-α-[(2-methyl-3,5-dinitrobenzoyl)amino]- [ACD/Index Name]
N-[2-(3-Isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-(2-methyl-3,5-dinitrobenzoyl)tyrosinamid [German] [ACD/IUPAC Name]
N-[2-(3-Isopropyl-4-methoxyphenyl)-2-oxoethyl]-Nα-(2-methyl-3,5-dinitrobenzoyl)tyrosinamide [ACD/IUPAC Name]
N-[2-(3-Isopropyl-4-méthoxyphényl)-2-oxoéthyl]-Nα-(2-méthyl-3,5-dinitrobenzoyl)tyrosinamide [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: 826.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1085.09
ACD/KOC (pH 5.5): 5180.60
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1081.03
ACD/KOC (pH 7.4): 5161.21
Polar Surface Area: 196 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 434.7±3.0 cm3

Click to predict properties on the Chemicalize site


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