chempirical

Ethotoin

C11H12N2O2CAS 86-35-1204.23 g/mol

Open in Covalent MOL file
NONHO
AmideLactamUrea

Properties

Molecular formula
C11H12N2O2
Molar mass
204.23 g/mol
Exact mass
204.0899 Da
Melting point
94 °C
logP
1.30Crippen estimate
Polar surface area
49.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
86-35-1
SMILES
CCN1C(=O)C(NC1=O)C2=CC=CC=C2
InChIKey
SZQIFWWUIBRPBZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 3-Ethyl-5-phenylimidazolidine-2,4-dione
  • Peganone
  • 3-Ethyl-5-phenylhydantoin
  • Accenon
  • Ethotoine
  • Etotoina
  • Ethotoinum
  • 3-Ethyl-5-phenylimidazolidin-2,4-dione
  • 1-Ethyl-2,5-dioxo-4-phenylimidazolidine
  • 3-Ethyl-5-phenyl-2,4-imidazolidinedione
  • Hydantoin, 3-ethyl-5-phenyl-
  • 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-
  • (+-)-3-Ethyl-5-phenylhydantoin
  • 3-Ethyl-5-phenyl-imidazolidine-2,4-dione
  • 1-Ethyl-2-hydroxy-4-phenyl-4,5-dihydro-1H-imidazol-5-one
  • Ethotoine [INN-french]

Work with Ethotoin

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

2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-741 % similar Diphenamid957-51-740 % similar 1-Phenylethyl propionate120-45-639 % similar 1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione7391-66-438 % similar (S)-(+)-4-Phenyl-2-oxazolidinone86217-38-138 % similar Piperacillin sodium59703-84-338 % similar Centralite85-98-338 % similar Tropicamide1508-75-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Imidazo[1,2-A]pyridine-3-aceticacid,ethylester101820-69-3 D-Tryptophan153-94-6 2,3,3-Trimethyl-5-nitroindolenine3484-22-8 (±)-Tryptophan54-12-6 2PHZ61698-32-6 Nirvanol631-07-2 Tryptophan73-22-3

Elsewhere

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