ChemSpider 2D Image | (2S)-2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide | C21H27NO

(2S)-2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID29787842

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-(4-Isobutylphenyl)-N-(1-phenylethyl)propanamide [ACD/IUPAC Name]
(2S)-2-(4-Isobutylphényl)-N-(1-phényléthyl)propanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-methyl-4-(2-methylpropyl)-N-(1-phenylethyl)-, (αS)- [ACD/Index Name]
(a-R)-
(a-R)-a-Methyl-4-(2-methylpropyl)-N-[(1R)-1-phenylethyl]benzeneacetamide
(R,R)-N-(1-Phenylethyl) Ibuprofen Amide
121734-80-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 484.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 297.7±10.6 °C
Index of Refraction: 1.544
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3614.74
ACD/KOC (pH 5.5): 12259.30
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3614.74
ACD/KOC (pH 7.4): 12259.30
Polar Surface Area: 29 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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