2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
Basic information
- CAS
852824-06-7- Standard SMILES
COc1ccc(NC(=O)CN2CCc3ccccc3C2)c(OC)c1- InChIKey
AIDQJTGMUOXNPX-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Names & identifiers
- Preferred name
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
Names & synonyms
852824-06-72-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2,4-dimethoxyphenyl)acetamide2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2,4-dimethoxyphenyl)acetamide2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)acetamideMLS001001765CHEMBL1485135DTXSID901326006HMS2816O13STK401248AKOS003309979SMR000499248ST50892858
Show more names
Z46162156N-(2,4-dimethoxyphenyl)-2-(2-1,2,3,4-tetrahydroisoquinolyl)acetamide
Database identifiers
- CAS
852824-06-7- PubChem CID
- 3923660
- DTXSID
DTXSID901326006- ChEMBL
CHEMBL1485135
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility34.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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