Basic information
- CAS
6460-77-1- Standard SMILES
O=C(O)CCC(NC(=O)c1ccccc1)C(=O)N1CCCCCC1- InChIKey
KLJOPGKUGZYOPR-UHFFFAOYSA-N- Molecular formula
- C18H24N2O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.17360725
Names & identifiers
- Preferred name
- DL 248
- IUPAC
- 5-(azepan-1-yl)-4-benzamido-5-oxopentanoic acid
Names & synonyms
248 DLDL 248DL-Hexahydro-gamma-benzamido-delta-oxo-1H-azepine-1-valeric acid6460-77-11H-AZEPINE-1-VALERIC ACID, HEXAHYDRO-gamma-BENZAMIDO-delta-OXO-, DL-RefChem:339262DTXSID909832175-(Azepan-1-yl)-4-{[hydroxy(phenyl)methylidene]amino}-5-oxopentanoic acid
Database identifiers
- CAS
6460-77-1- PubChem CID
- 22962
- DTXSID
DTXSID90983217
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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