Basic information
- CAS
1016740-91-2- Standard SMILES
Cc1ccc(N)cc1NC(=O)CCN1CCCCCC1=O- InChIKey
SLAYZLJFROYXIW-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2
- Average molar mass
- 289.37 g/mol
- Monoisotopic mass
- 289.17902698
Names & identifiers
- Preferred name
- N-(5-Amino-2-methylphenyl)-3-(2-oxoazepan-1-YL)propanamide
- IUPAC
- N-(5-amino-2-methylphenyl)-3-(2-oxoazepan-1-yl)propanamide
Names & synonyms
DTXSID101163797N-(5-AMINO-2-METHYLPHENYL)-3-(2-OXOAZEPAN-1-YL)PROPANAMIDEAKOS000163366N-(5-Amino-2-methylphenyl)hexahydro-2-oxo-1H-azepine-1-propanamide1016740-91-2
Database identifiers
- CAS
1016740-91-2- PubChem CID
- 20121535
- DTXSID
DTXSID101163797
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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