2-[4-[2-[(1,1-Dimethylethyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl]-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
696616-83-8- Standard SMILES
CC1(C)CC(=O)/C(=C(\O)CCCN2C(=O)c3ccccc3C2=O)C(=NC(C)(C)C)C1- InChIKey
WGFWUHOCFKDEGK-DDJMRYHFSA-N- Molecular formula
- C24H30N2O4
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.22055744
Names & identifiers
- Preferred name
- 2-[4-[2-[(1,1-Dimethylethyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl]-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[(4Z)-4-(2-tert-butylimino-4,4-dimethyl-6-oxocyclohexylidene)-4-hydroxybutyl]isoindole-1,3-dione
Names & synonyms
DTXSID101107905HMS2731M142-[4-[2-[(1,1-Dimethylethyl)amino]-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl]-4-oxobutyl]-1H-isoindole-1,3(2H)-dione2-{4-[2-(tert-butylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione696616-83-8STK684459AKOS001743716
Database identifiers
- CAS
696616-83-8- PubChem CID
- 135490751
- DTXSID
DTXSID101107905
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 777
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Compound notes
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