2-[1-(3,4-dimethoxy-benzyl)-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-benzyl-acetamide
Basic information
- Standard SMILES
CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)C2Cc1ccc(OC)c(OC)c1- InChIKey
FSBQTAPUGFUXPA-UHFFFAOYSA-N- Molecular formula
- C30H36N2O5
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-dimethoxy-benzyl)-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-benzyl-acetamide
- IUPAC
- N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
Names & synonyms
SCHEMBL4426768CHEMBL2418881FSBQTAPUGFUXPA-UHFFFAOYSA-N2-[1-(3,4-dimethoxy-benzyl)-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-benzyl-acetamide
Database identifiers
- PubChem CID
- 10185596
- ChEMBL
CHEMBL2418881- Nikkaji
- J3.340.568E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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