ChemSpider 2D Image | Ethyl N-[(4-{3-[(3-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]-beta-alaninate | C21H31N3O5

Ethyl N-[(4-{3-[(3-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]-β-alaninate

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID22187247

More details:

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

Ethyl N-[(4-{3-[(3-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(4-{3-[(3-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(4-{3-[(3-Méthoxyphényl)amino]-3-oxopropyl}-1-pipéridinyl)carbonyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[4-[3-[(3-methoxyphenyl)amino]-3-oxopropyl]-1-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
ETHYL 3-(4-{2-[(3-METHOXYPHENYL)CARBAMOYL]ETHYL}PIPERIDINE-1-CARBONYLAMINO)PROPANOATE
ETHYL 3-[(4-{2-[(3-METHOXYPHENYL)CARBAMOYL]ETHYL}PIPERIDINE-1-CARBONYL)AMINO]PROPANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.4±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.64
ACD/KOC (pH 5.5): 609.98
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.64
ACD/KOC (pH 7.4): 609.99
Polar Surface Area: 97 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


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