ChemSpider 2D Image | Ethyl 3,5-dimethyl-4-{N-[(2-methyl-2-propanyl)carbamoyl]-N-[2-(4-morpholinyl)ethyl]glycyl}-1H-pyrrole-2-carboxylate | C22H36N4O5

Ethyl 3,5-dimethyl-4-{N-[(2-methyl-2-propanyl)carbamoyl]-N-[2-(4-morpholinyl)ethyl]glycyl}-1H-pyrrole-2-carboxylate

  • Molecular FormulaC22H36N4O5
  • Average mass436.545 Da
  • Monoisotopic mass436.268585 Da
  • ChemSpider ID22633852

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[[[(1,1-dimethylethyl)amino]carbonyl][2-(4-morpholinyl)ethyl]amino]acetyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
3,5-Diméthyl-4-{N-[(2-méthyl-2-propanyl)carbamoyl]-N-[2-(4-morpholinyl)éthyl]glycyl}-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3,5-dimethyl-4-{N-[(2-methyl-2-propanyl)carbamoyl]-N-[2-(4-morpholinyl)ethyl]glycyl}-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3,5-dimethyl-4-{N-[(2-methyl-2-propanyl)carbamoyl]-N-[2-(4-morpholinyl)ethyl]glycyl}-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 7.24
ACD/KOC (pH 5.5): 73.61
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 67.91
ACD/KOC (pH 7.4): 690.04
Polar Surface Area: 104 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

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