Basic information
- CAS
135838-05-0- Standard SMILES
CCN(O)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2- InChIKey
UCRBYFAXJOOGOY-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- N-Ethyl-6,11-dihydro-N-hydroxy-11-oxodibenz[b,e]oxepin-2-acetamide
- IUPAC
- N-ethyl-N-hydroxy-2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetamide
Names & synonyms
CHEMBL86214SCHEMBL9215390DTXSID301166173BDBM50048996N-Ethyl-6,11-dihydro-N-hydroxy-11-oxodibenz[b,e]oxepin-2-acetamide135838-05-0N-Ethyl-N-hydroxy-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetamideN-Ethyl-N-hydroxy-2-(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetamide
Database identifiers
- CAS
135838-05-0- PubChem CID
- 9839712
- DTXSID
DTXSID301166173- ChEMBL
CHEMBL86214- Nikkaji
- J715.781I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
1 records
Compound notes
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