ChemSpider 2D Image | Ethyl 4-(3-{3-[(3-ethoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C23H37N3O5

Ethyl 4-(3-{3-[(3-ethoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC23H37N3O5
  • Average mass435.557 Da
  • Monoisotopic mass435.273315 Da
  • ChemSpider ID28395796

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[3-[3-[[(3-ethoxypropyl)amino]carbonyl]-1-piperidinyl]-3-oxopropyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-(3-{3-[(3-Éthoxypropyl)carbamoyl]-1-pipéridinyl}-3-oxopropyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{3-[(3-ethoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-(3-{3-[(3-ethoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-[3-(3-{[(3-ethoxypropyl)amino]carbonyl}piperidin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.54
ACD/KOC (pH 5.5): 1016.30
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.68
ACD/KOC (pH 7.4): 1017.52
Polar Surface Area: 101 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

Click to predict properties on the Chemicalize site


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