Methetoin
PubChem CID: 21908
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | METHETOIN, Metetoin, 5696-06-0, Metetoina, Metetoine, 5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione, 5-Ethyl-1-methyl-5-phenylhydantoin, NSC-524411, Methetoin [USAN], 2,4-Imidazolidinedione, 5-ethyl-1-methyl-5-phenyl-, Metetoin [INN], Hydantoin, 5-ethyl-1-methyl-5-phenyl-, 8G09Z6AF2T, N 3, 525599-67-1, N-3, Metetoine [INN-French], Metetoina [DCIT], Metetoine [French], Metetoinum [Latin], Metetoina [Spanish], Metetoinum, Metetoinum [INN-Latin], NSC 524411, BRN 0206293, UNII-8G09Z6AF2T, METHETOIN [MI], Methetoin (USAN/INN), METETOIN [WHO-DD], Oprea1_696762, SCHEMBL80506, CHEMBL94127, DTXSID60863597, NEGMMKYAVYNLCG-UHFFFAOYSA-N, N-methyl-5-ethyl-5-phenyl-hydantoin, XD163787, NS00114053, D04982, 5-Ethyl-1-methyl-5-phenyl-2,4-imidazolidinedione #, Q27270358 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C12H14N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NEGMMKYAVYNLCG-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Methetoin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.106 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 218.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 218.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5230871999999995 |
| Inchi | InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16) |
| Smiles | CCC1(C(=O)NC(=O)N1C)C2=CC=CC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Peucedanum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients