Basic information
- CAS
54087-38-6- Standard SMILES
CCCNCC(=O)Nc1ccc(C2NC(=O)Cc3ccccc32)cc1- InChIKey
RFKFOPKQXURKAV-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- Acetanilide, 4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
- IUPAC
- N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide
- English name
- 4'-(3-Oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-(propylamino)acetanilide
- Molecular formula
- C20H23N3O2
- Molecular weight
- 337.42
Names & synonyms
BRN 049621154087-38-64'-(3-Oxo-1,2,3,4-tetrahydroisoquinolyl)-2-propylaminoacetanilideN-(4-(3-Oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylaminoacetamideAcetamide, N-(4-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylamino-ACETANILIDE, 4'-(3-OXO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLYL)-2-(PROPYLAMINO)-RefChem:315787CHEMBL3277841SCHEMBL11839871DTXSID30968927DB-2946864'-(3-Oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-(propylamino)acetanilide
Show more names
Acetamide, 2-(propylamino)-N-[4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl]-
N-[4-(3-Hydroxy-1,4-dihydroisoquinolin-1-yl)phenyl]-N~2~-propylglycinamide
Database identifiers
- CAS
54087-38-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Melting point
- 143 °C · 143 °C(Solv: ethanol (64-17-5))
- Boiling point
- 615 · 615.0±55.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 14.08 · 14.08±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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