Basic information
- Standard SMILES
CCOc1cnc(CC)cc1CCC1(C2CCCC2)CC(=O)CC(=O)O1- InChIKey
WNZYJILKJBWZMI-UHFFFAOYSA-N- Molecular formula
- C21H29NO4
- Average molar mass
- 359.5 g/mol
Names & identifiers
- Preferred name
- 6-Cyclopentyl-6-[2-(5-ethoxy-2-ethylpyridin-4-yl)ethyl]dihydro-2H-pyran-2,4(3H)-dione
- IUPAC
- 6-cyclopentyl-6-[2-(5-ethoxy-2-ethyl-4-pyridinyl)ethyl]oxane-2,4-dione
Names & synonyms
SCHEMBL1581345WNZYJILKJBWZMI-UHFFFAOYSA-N6-Cyclopentyl-6-[2-(5-ethoxy-2-ethylpyridin-4-yl)ethyl]dihydro-2H-pyran-2,4(3H)-dione
Database identifiers
- PubChem CID
- 58764196
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
3 records
Compound notes
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