Acetanilide, 4'-(4-isopropyl-3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
Basic information
- CAS
54087-41-1- Standard SMILES
CC(C)NCC(=O)Nc1ccc(C2NC(=O)C(C(C)C)c3ccccc32)cc1- InChIKey
UAZBVVKDHRCJBX-UHFFFAOYSA-N- Molecular formula
- C23H29N3O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.22597718
Names & identifiers
- Preferred name
- Acetanilide, 4'-(4-isopropyl-3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-
- IUPAC
- N-[4-(3-oxo-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
- English name
- 4'-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-(propylamino)acetanilide
- Molecular formula
- C23H29N3O2
- Molecular weight
- 379.5
Names & synonyms
BRN 049947154087-41-14'-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)-2-propylaminoacetanilideAcetamide, N-(4-(4-isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylamino-Acetanilide, 4'-(4-isopropyl-3-oxo-1,2,3,4-tetrahydro-1-isoquinolyl)-2-(propylamino)-N-(4-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-propylaminoacetamideRefChem:315789DTXSID60968930N-{4-[3-Hydroxy-4-(propan-2-yl)-1,4-dihydroisoquinolin-1-yl]phenyl}-N~2~-(propan-2-yl)glycinamideN-{4-[3-Hydroxy-4-(propan-2-yl)-1,4-dihydroisoquinolin-1-yl]phenyl}-N~2~-propan-2-ylglycinamide4'-(4-Isopropyl-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-(propylamino)acetanilideAcetamide, 2-(propylamino)-N-[4-[1,2,3,4-tetrahydro-4-(1-methylethyl)-3-oxo-1-isoquinolinyl]phenyl]-
Database identifiers
- CAS
54087-41-1- PubChem CID
- 40986
- DTXSID
DTXSID60968930
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
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