1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-

HCID 41240

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Basic information

CAS: 54951-16-5
Standard SMILES: CC(C)N(CCN1C(=O)CCCc2ccccc21)C(C)C
InChIKey: PQQWTNHZXGJTDN-UHFFFAOYSA-N
Molecular formula: C18H28N2O
Average molar mass: 288.4 g/mol
Monoisotopic mass: 288.22016352

Names & identifiers

Preferred name: 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(diisopropylamino)ethyl)-
IUPAC: 1-[2-[di(propan-2-yl)amino]ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
English name: 2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-1H-1-benzazepin-2-one
Molecular formula: C18H28N2O
Molecular weight: 0

Names & synonyms

54951-16-51H-1-BENZAZEPIN-2-ONE, 2,3,4,5-TETRAHYDRO-1-(2-(DIISOPROPYLAMINO)ETHYL)-DTXSID102034691H-1-Benzazepin-2-one, 1-(2-(diisopropylamino)ethyl)-2,3,4,5-tetrahydro-RefChem:237215DTXCID60125960DB-3130042,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl ]-1h-1-benzazepin-2-one1-{2-[Di(propan-2-yl)amino]ethyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one1-[2-[di(propan-2-yl)amino]ethyl]-4,5-dihydro-3H-1-benzazepin-2-one2,3,4,5-Tetrahydro-1-[2-(diisopropylamino)ethyl]-1H-1-benzazepin-2-one

Database identifiers

CAS: 54951-16-5
PubChem CID: 41240
DTXSID: DTXSID10203469
Nikkaji: J149.236E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 332

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