N-[6-[4-(diethylamino)phenyl]imino-3-oxocyclohexa-1,4-dien-1-yl]acetamide

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Basic information

CAS: 3743-39-3
Standard SMILES: CCN(CC)c1ccc(N=C2C=CC(=O)C=C2NC(C)=O)cc1
InChIKey: QEMWVIPKCBERGK-UHFFFAOYSA-N
Molecular formula: C18H21N3O2
Average molar mass: 311.4 g/mol
Monoisotopic mass: 311.16337692

Names & identifiers

Preferred name: N-[6-[4-(diethylamino)phenyl]imino-3-oxocyclohexa-1,4-dien-1-yl]acetamide
IUPAC: N-[6-[4-(diethylamino)phenyl]imino-3-oxocyclohexa-1,4-dien-1-yl]acetamide

Names & synonyms

MLS0026384023743-39-3SMR001547886NSC14744N-[6-[4-(diethylamino)phenyl]imino-3-oxocyclohexa-1,4-dien-1-yl]acetamiden-[(6e)-6-{[4-(diethylamino)phenyl]imino}-3-oxocyclohexa-1,4-dien-1-yl]acetamidecid_225421CHEMBL1709241DTXSID00279951BDBM115148HMS3089H24NSC-14744

Show more names

N-[(6E)-6-{[4-(Diethylamino)phenyl]imino}-3-oxo-1,4-cyclohexadien-1-yl]acetamideN-[6-[4-(diethylamino)phenyl]imino-3-oxo-1-cyclohexa-1,4-dienyl]acetamideN-[6-[4-(diethylamino)phenyl]imino-3-keto-cyclohexa-1,4-dien-1-yl]acetamideN-[6-[4-(diethylamino)phenyl]imino-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanamide

Database identifiers

CAS: 3743-39-3
PubChem CID: 225421
DTXSID: DTXSID00279951
ChEMBL: CHEMBL1709241

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 536

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Compound notes

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