ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamide | C23H35N3O4

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamide

  • Molecular FormulaC23H35N3O4
  • Average mass417.542 Da
  • Monoisotopic mass417.262756 Da
  • ChemSpider ID23039302

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-2-[(1-cyclopentyl-4-pipéridinyl)oxy]-5-méthoxybenzamide [French] [ACD/IUPAC Name]
(2S)-2-({2-[(1-CYCLOPENTYLPIPERIDIN-4-YL)OXY]-5-METHOXYPHENYL}FORMAMIDO)-3-METHYLBUTANAMIDE
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.57
Polar Surface Area: 94 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


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