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Search term: JJDOIAOGKJYZMD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-3-[(1S)-1-Hydroxy-5-methoxy-1-(2-phenoxyphenyl)pentyl]-N-[2-methyl-1-(methylamino)-2-propanyl]-1-piperidinecarboxamide | C29H43N3O4

(3R)-3-[(1S)-1-Hydroxy-5-methoxy-1-(2-phenoxyphenyl)pentyl]-N-[2-methyl-1-(methylamino)-2-propanyl]-1-piperidinecarboxamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID26610297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-[(1S)-1-Hydroxy-5-methoxy-1-(2-phenoxyphenyl)pentyl]-N-[2-methyl-1-(methylamino)-2-propanyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R)-3-[(1S)-1-Hydroxy-5-methoxy-1-(2-phenoxyphenyl)pentyl]-N-[2-methyl-1-(methylamino)-2-propanyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-3-[(1S)-1-Hydroxy-5-méthoxy-1-(2-phénoxyphényl)pentyl]-N-[2-méthyl-1-(méthylamino)-2-propanyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Piperidinecarboxamide, N-[1,1-dimethyl-2-(methylamino)ethyl]-3-[(1S)-1-hydroxy-5-methoxy-1-(2-phenoxyphenyl)pentyl]-, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 6.73
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 10.56
ACD/KOC (pH 7.4): 42.65
Polar Surface Area: 83 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 448.6±3.0 cm3

Click to predict properties on the Chemicalize site


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