Basic information
- Standard SMILES
CCCCCCC(C)(C)c1ccc(C2CC(=O)CCN2C(=O)OCC)c(O)c1- InChIKey
PFFFNYFUDLBNCU-UHFFFAOYSA-N- Molecular formula
- C23H35NO4
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.2566086
Names & identifiers
- Preferred name
- N-Ethoxycarbonyl-2-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-4-piperidinone
- IUPAC
- ethyl 2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-oxopiperidine-1-carboxylate
Names & synonyms
SCHEMBL11015449PFFFNYFUDLBNCU-UHFFFAOYSA-NN-Ethoxycarbonyl-2-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-4-piperidinone
Database identifiers
- PubChem CID
- 20274351
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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