3,5,7-Trimethyl-1-(2-(4-morpholinyl)ethyl)-1,3-dihydro-2H-azepin-2-one

HCID 282178

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Basic information

CAS: 1676-49-9
Standard SMILES: CC1=CC(C)C(=O)N(CCN2CCOCC2)C(C)=C1
InChIKey: ZATKVRIJXYUBSF-UHFFFAOYSA-N
Molecular formula: C15H24N2O2
Average molar mass: 264.36 g/mol
Monoisotopic mass: 264.18377801

Names & identifiers

Preferred name: 3,5,7-Trimethyl-1-(2-(4-morpholinyl)ethyl)-1,3-dihydro-2H-azepin-2-one
IUPAC: 3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one

Names & synonyms

1676-49-93,5,7-Trimethyl-1-(2-(4-morpholinyl)ethyl)-1,3-dihydro-2H-azepin-2-oneNSC135358NSC 135358MLS002920272NSC-1353583,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one852Q2PLA6XSMR0017978683,5,7-trimethyl-1-(2-morpholinoethyl)-3H-azepin-2-one1,3-Dihydro-3,5,7-trimethyl-1-[2-(4-morpholinyl)ethyl]-2H-azepin-2-one2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-[2-(4-morpholinyl)ethyl]-

Database identifiers

CAS: 1676-49-9
PubChem CID: 282178
UNII: 852Q2PLA6X
Nikkaji: J383.813G

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 395

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