Basic information
- Standard SMILES
CCOC(=O)CC1c2cc(C(C)(C)C)ccc2C(=O)N1CC(C)C- InChIKey
SANFIDJNAXJEQL-UHFFFAOYSA-N- Molecular formula
- C20H29NO3
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- ethyl (6-tert-butyl-2-isobutyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate
- IUPAC
- ethyl 2-[6-tert-butyl-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]acetate
Names & synonyms
SCHEMBL6233172SANFIDJNAXJEQL-UHFFFAOYSA-Nethyl (6-tert-butyl-2-isobutyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetateethyl (6-tert-butyl-2-isobutyl-3oxo-2,3-dihydro-1H-isoindol-1-yl)acetate
Database identifiers
- PubChem CID
- 69714217
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
5 records
Compound notes
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