ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamide | C21H33N3O4

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

  • Molecular FormulaC21H33N3O4
  • Average mass391.504 Da
  • Monoisotopic mass391.247101 Da
  • ChemSpider ID23039409

  • 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]-4-methoxy-3-[[1-(1-methylethyl)-4-piperidinyl]oxy]- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-3-[(1-isopropyl-4-pipéridinyl)oxy]-4-méthoxybenzamide [French] [ACD/IUPAC Name]
(2S)-2-({3-[(1-ISOPROPYLPIPERIDIN-4-YL)OXY]-4-METHOXYPHENYL}FORMAMIDO)-3-METHYLBUTANAMIDE
(2S)-2-[(4-METHOXY-3-{[1-(PROPAN-2-YL)PIPERIDIN-4-YL]OXY}PHENYL)FORMAMIDO]-3-METHYLBUTANAMIDE
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 94 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 351.0±3.0 cm3

Click to predict properties on the Chemicalize site


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