Tebufenozide

C22H28N2O2CAS 112410-23-8352.48 g/mol

Open in Covalent MOL file
ONHNO
Amide

Properties

Molecular formula
C22H28N2O2
Molar mass
352.48 g/mol
Exact mass
352.2151 Da
Melting point
191 °C
Water solubility
830 µg/L
logP
4.45Crippen estimate
Polar surface area
49.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 616-076-00-9), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
112410-23-8
SMILES
CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
InChIKey
QYPNKSZPJQQLRK-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)

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Names and synonyms

9 names
  • Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide
  • RH 5992
  • Mimic
  • Confirm
  • Mimic 240LV
  • 3,5-Dimethylbenzoic acid N-tert-butyl-N-(4-ethylbenzoyl)hydrazide
  • 1-tert-Butyl-1-(3,5-dimethylbenzoyl)-2-(4-ethylbenzoyl)hydrazine
  • Mimic 700WP
  • Romdan

Work with Tebufenozide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Ethylbenzamide33695-58-835 % similar 4′-Ethylacetophenone937-30-435 % similar 4-Ethylbenzoyl chloride16331-45-634 % similar 4'-Ethylpropiophenone27465-51-634 % similar 4-Ethylbenzoic acid619-64-734 % similar 4-Ethylbenzophenone18220-90-133 % similar 4-Ethyltoluene622-96-833 % similar Methoxyfenozide161050-58-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia