ChemSpider 2D Image | Ethyl 4-(3-{3-[(3-isopropoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C24H39N3O5

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

  • Molecular FormulaC24H39N3O5
  • Average mass449.584 Da
  • Monoisotopic mass449.288971 Da
  • ChemSpider ID28395344

More details:

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

1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-[3-[3-[[[3-(1-methylethoxy)propyl]amino]carbonyl]-1-piperidinyl]-3-oxopropyl]-, ethyl ester [ACD/Index Name]
4-(3-{3-[(3-Isopropoxypropyl)carbamoyl]-1-pipéridinyl}-3-oxopropyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{3-[(3-isopropoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-(3-{3-[(3-isopropoxypropyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-[3-(3-{[(3-isopropoxypropyl)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: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.42
ACD/KOC (pH 5.5): 1755.75
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.71
ACD/KOC (pH 7.4): 1757.86
Polar Surface Area: 101 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 400.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement