ChemSpider 2D Image | 2-{3-[(~2~H_5_)Ethyloxy]-4-(hydroperoxymethyl)phenyl}-N-{(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}acetamide | C27H33D5N2O4

2-{3-[(2H5)Ethyloxy]-4-(hydroperoxymethyl)phenyl}-N-{(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}acetamide

  • Molecular FormulaC27H33D5N2O4
  • Average mass459.632 Da
  • Monoisotopic mass459.314545 Da
  • ChemSpider ID58785084

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-{3-[(2H5)Ethyloxy]-4-(hydroperoxymethyl)phenyl}-N-{(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}acetamid [German] [ACD/IUPAC Name]
2-{3-[(2H5)Ethyloxy]-4-(hydroperoxymethyl)phenyl}-N-{(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}acetamide [ACD/IUPAC Name]
2-{3-[(2H5)Éthyloxy]-4-(hydroperoxyméthyl)phényl}-N-{(1S)-3-méthyl-1-[2-(1-pipéridinyl)phényl]butyl}acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 3-(ethyl-d5-oxy)-4-(hydroperoxymethyl)-N-[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]- [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: 679.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 911.75
ACD/KOC (pH 5.5): 3539.19
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2206.13
ACD/KOC (pH 7.4): 8563.64
Polar Surface Area: 71 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

Click to predict properties on the Chemicalize site


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