Basic information
- Standard SMILES
CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1cccc2cnccc12- InChIKey
HOOVIORVJWXYEO-UHFFFAOYSA-N- Molecular formula
- C23H26N2O
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- N-(4-tert-butylbenzyl)-2-(5-isoquinolinyl)propanamide
- IUPAC
- N-[(4-tert-butylphenyl)methyl]-2-isoquinolin-5-ylpropanamide
Names & synonyms
SCHEMBL4022888HOOVIORVJWXYEO-UHFFFAOYSA-NN-(4-tert-butylbenzyl)-2-(5-isoquinolinyl)propanamide
Database identifiers
- PubChem CID
- 10247056
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Related reactions
4 records
Compound notes
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