ChemSpider 2D Image | 2-Methyl-2-propanyl 2-{[4-({1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate | C33H44N4O6

2-Methyl-2-propanyl 2-{[4-({1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID4145877

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[4-[[[2-[(4-ethoxyphenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[4-({1-[(4-Éthoxyphényl)amino]-1-oxo-3-phényl-2-propanyl}carbamoyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[4-({1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[4-({1-[(4-ethoxyphenyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 837.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 460.0±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 817.69
ACD/KOC (pH 5.5): 4230.84
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 817.73
ACD/KOC (pH 7.4): 4231.03
Polar Surface Area: 117 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 487.4±3.0 cm3

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