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Search term: LWVIQLICDZHOEY-ACHIHNKUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,3S)-3-{[(3-Chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-piperidinecarboxamide | C34H42ClN3O5

N-[(2S,3S)-3-{[(3-Chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-piperidinecarboxamide

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID8136083

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[(2S,3S)-3-[[2-(3-chlorophenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methyl- [ACD/Index Name]
N-[(2S,3S)-3-{[(3-Chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[(2S,3S)-3-{[(3-chlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpiperidine-4-carboxamide
N-[(2S,3S)-3-{[(3-Chlorphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-3-{[2-(3-Chlorophénoxy)acétyl]amino}-2-hydroxy-4-phénylbutyl]-N-[2-(4-méthoxyphényl)éthyl]-1-méthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[2-(3-chloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-[2-(4-methoxy-phenyl)-ethyl]-amide
CHEMBL285177
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285177/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 810.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.1±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 12.91
ACD/KOC (pH 5.5): 33.17
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 409.91
ACD/KOC (pH 7.4): 1053.00
Polar Surface Area: 91 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 501.5±3.0 cm3

Click to predict properties on the Chemicalize site


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