Basic information
- CAS
54951-30-3- Standard SMILES
COc1ccc2c(c1)CCCC(=O)N2CCN(C(C)C)C(C)C- InChIKey
KXWARPSMGAVRQE-UHFFFAOYSA-N- Molecular formula
- C19H30N2O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.2307282
Names & identifiers
- Preferred name
- 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-7-methoxy-
- IUPAC
- 1-[2-[di(propan-2-yl)amino]ethyl]-7-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
- English name
- 2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-7-methoxy-1H-1-benzazepin-2-one
- Molecular formula
- C19H30N2O2
- Molecular weight
- 318.45
Names & synonyms
BRN 149328454951-30-31H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-7-methoxy-DTXSID602034745-21-12-00240 (Beilstein Handbook Reference)1H-1-Benzazepin-2-one, 1-(2-(diisopropylamino)ethyl)-7-methoxy-2,3,4,5-tetrahydro-RefChem:237216DTXCID60125965DB-3130051-{2-[Di(propan-2-yl)amino]ethyl}-7-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl ]-7-methoxy-1h-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-7-methoxy-1H-1-benzazepin-2-one
Show more names
2H-1-Benzazepin-2-one, 1-[2-[bis(1-methylethyl)amino]ethyl]-1,3,4,5-tetrahydro-7-methoxy-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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