Basic information
- CAS
53525-81-8- Standard SMILES
COc1ccccc1C(=O)NC1CCC[C@@H]2CCN(C)C[C@H]12- InChIKey
PSCUSBHTWIZHDR-YISXUXMPSA-N- Molecular formula
- C18H26N2O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.19942808
Names & identifiers
- Preferred name
- 2-Methoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acid
- IUPAC
- N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-2-methoxybenzamide
Names & synonyms
DTXSID9096826653525-81-82-Methoxy-N-(2-methyldecahydroisoquinolin-8-yl)benzene-1-carboximidic acidRefChem:1063590DTXCID101395851cis-Decahydro-8-(2-methoxybenzamido)-2-methylisoquinoline58158-22-8cis-N-(Decahydro-2-methylisoquinolin-8-yl)-2-methoxybenzamideIsoquinoline, decahydro-8-(2-methoxybenzamido)-2-methyl-, (Z)-BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-2-METHOXY-, (Z)-2-Methoxy-N-[(4aR,8aR)-2-methyldecahydroisoquinolin-8-yl]benzene-1-carboximidic acid
Database identifiers
- CAS
53525-81-8、58158-22-8- PubChem CID
- 42657
- DTXSID
DTXSID90968266
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
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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