Basic information
- Standard SMILES
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(N2C(=O)c3ccccc3C2=O)c1- InChIKey
SNHUPJUOXFBSHX-UXBLZVDNSA-N- Molecular formula
- C26H28N2O2
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- (E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-phthalimidobenzylamine
- IUPAC
- 2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL9454518SNHUPJUOXFBSHX-UXBLZVDNSA-N(E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-phthalimidobenzylamine
Database identifiers
- PubChem CID
- 19744709
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Related reactions
2 records
Compound notes
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