ChemSpider 2D Image | Benzyl 3-{2-[(2-ethoxyethyl)amino]-2-oxoethyl}-3-[(2-ethoxyethyl)carbamoyl]-1-pyrrolidinecarboxylate | C23H35N3O6

Benzyl 3-{2-[(2-ethoxyethyl)amino]-2-oxoethyl}-3-[(2-ethoxyethyl)carbamoyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC23H35N3O6
  • Average mass449.540 Da
  • Monoisotopic mass449.252594 Da
  • ChemSpider ID30296182

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[[(2-ethoxyethyl)amino]carbonyl]-3-[2-[(2-ethoxyethyl)amino]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
3-{2-[(2-Éthoxyéthyl)amino]-2-oxoéthyl}-3-[(2-éthoxyéthyl)carbamoyl]-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-{2-[(2-ethoxyethyl)amino]-2-oxoethyl}-3-[(2-ethoxyethyl)carbamoyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-3-{2-[(2-ethoxyethyl)amino]-2-oxoethyl}-3-[(2-ethoxyethyl)carbamoyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
BENZYL 3-[(2-ETHOXYETHYL)CARBAMOYL]-3-{[(2-ETHOXYETHYL)CARBAMOYL]METHYL}PYRROLIDINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.95
ACD/KOC (pH 5.5): 229.58
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.95
ACD/KOC (pH 7.4): 229.58
Polar Surface Area: 106 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 388.4±3.0 cm3

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