Basic information
- CAS
53525-84-1- Standard SMILES
COc1ccc(C(=O)NC2CCC[C@@H]3CCN(C)C[C@@H]23)cc1- InChIKey
PHGNGSLOYSIEER-ZIAVVELASA-N- Molecular formula
- C18H26N2O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.19942808
Names & identifiers
- Preferred name
- Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-4-methoxy-, (trans)-
- IUPAC
- N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-methoxybenzamide
Names & synonyms
53525-84-1BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-4-METHOXY-, (trans)-RefChem:1078119Isoquinoline, decahydro-8-(4-methoxybenzamido)-2-methyl-, (E)-trans-Decahydro-8-(4-methoxybenzamido)-2-methylisoquinolinetrans-N-(Decahydro-2-methylisoquinolin-8-yl)-4-methoxybenzamide
Database identifiers
- CAS
53525-84-1- PubChem CID
- 40800
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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