Basic information
- CAS
72469-15-9- Standard SMILES
Cc1ccc(C(=O)NC2CCC[C@@H]3CN(C)CC[C@@H]23)cc1- InChIKey
XSTDZAMTGIEXQR-YNPPLXCJSA-N- Molecular formula
- C18H26N2O
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.20451346
Names & identifiers
- Preferred name
- Benzamide, 4-methyl-N-(2-methyldecahydroisoquinol-5-yl)-, (E)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-methylbenzamide
Names & synonyms
72469-15-9BENZAMIDE, 4-METHYL-N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-, (E)-RefChem:1078007trans-4-Methyl-N-(2-methyldecahydroisoquinol-5-yl)benzamideDTXSID809932844-Methyl-N-(2-methyldecahydroisoquinolin-5-yl)benzamide4-Methyl-N-[(4aR,8aS)-2-methyldecahydroisoquinolin-5-yl]benzamide
Database identifiers
- CAS
72469-15-9- PubChem CID
- 51597
- DTXSID
DTXSID80993284
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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