Basic information
- Standard SMILES
CCN(CCN1CCCCCC1=O)C(C)Cc1ccc(OC)cc1- InChIKey
KHEJLRRWPBWBIP-UHFFFAOYSA-N- Molecular formula
- C20H32N2O2
- Average molar mass
- 332.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-{Ethyl-[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)-azepan-2-one
- IUPAC
- 1-[2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]azepan-2-one
Names & synonyms
SCHEMBL4875572KHEJLRRWPBWBIP-UHFFFAOYSA-N1-(2-{ethyl-[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)-azepan-2-one
Database identifiers
- PubChem CID
- 12112697
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Related reactions
4 records
Compound notes
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