ChemSpider 2D Image | isofetamid | C20H25NO3S

isofetamid

  • Molecular FormulaC20H25NO3S
  • Average mass359.482 Da
  • Monoisotopic mass359.155518 Da
  • ChemSpider ID27473807

More details:

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

11931431 [Beilstein]
2-Thiophenecarboxamide, N-[1,1-dimethyl-2-[2-methyl-4-(1-methylethoxy)phenyl]-2-oxoethyl]-3-methyl- [ACD/Index Name]
875915-78-9 [RN]
95499Z1H0H
isofetamid [BSI] [ISO]
isofétamide [French] [ISO]
N-[1-(4-Isopropoxy-2-methylphenyl)-2-methyl-1-oxo-2-propanyl]-3-methyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[1-(4-Isopropoxy-2-methylphenyl)-2-methyl-1-oxo-2-propanyl]-3-methyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[1-(4-Isopropoxy-2-méthylphényl)-2-méthyl-1-oxo-2-propanyl]-3-méthyl-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[1-(4-Isopropoxy-2-methylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methylthiophene-2-carboxamide [ACD/IUPAC Name]
More...
  • Miscellaneous

    • Chemical Class:

      An aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one. ChEBI CHEBI:83065

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 945.74
ACD/KOC (pH 5.5): 4695.25
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 945.73
ACD/KOC (pH 7.4): 4695.20
Polar Surface Area: 84 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site


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