Basic information
- CAS
54087-44-4- Standard SMILES
CNCC(=O)Nc1ccc(C2NC(=O)Cc3ccccc32)cc1- InChIKey
MWAVQYYNMDPWIO-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- Acetanilide, 2-(methylamino)-4'-(3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-
- IUPAC
- 2-(methylamino)-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
- English name
- 2-(Methylamino)-4'-(3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetanilide
- Molecular formula
- C18H19N3O2
- Molecular weight
- 309.36
Names & synonyms
54087-44-4ACETANILIDE, 2-(METHYLAMINO)-4'-(3-OXO-1,2,3,4-TETRAHYDRO-1-ISOQUINOLYL)-RefChem:10754562-Methylamino-4'-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)acetanilideNSC 306784BRN 0494369NSC3067842-Methylamino-N-(4-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)acetamideAcetamide, 2-methylamino-N-(4-(3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-CHEMBL3277839DTXSID001384342NSC-306784
Show more names
Acetamide, 2-(methylamino)-N-[4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl]-
Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-Acetanilide,2,3,4-tetrahydroisoquinolyl)-DB-301986Acetamide,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl]-2-(Methylamino)-4'-(3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetanilide
Database identifiers
- CAS
54087-44-4- PubChem CID
- 40987
- DTXSID
DTXSID001384342- ChEMBL
CHEMBL3277839- Nikkaji
- J73.590F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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