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

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

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID4330117

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[4-[[[2-[[(4-methoxyphenyl)methyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[4-({1-[(4-Méthoxybenzyl)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-methoxybenzyl)amino]-1-oxo-3-phenyl-2-propanyl}carbamoyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[4-({1-[(4-methoxybenzyl)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: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 536.93
ACD/KOC (pH 5.5): 3130.99
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.93
ACD/KOC (pH 7.4): 3130.99
Polar Surface Area: 117 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 493.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement