trans-4'-Acetamidochalcone oxide

HCID 54860

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Basic information

CAS: 82389-38-6
Standard SMILES: CC(=O)Nc1ccc(C(=O)[C@H]2O[C@@H]2c2ccccc2)cc1
InChIKey: JRWVCWTYUGBNOH-IAGOWNOFSA-N
Molecular formula: C17H15NO3
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.10519334

Names & identifiers

Preferred name: trans-4'-Acetamidochalcone oxide
IUPAC: N-[4-[(2S,3R)-3-phenyloxirane-2-carbonyl]phenyl]acetamide

Names & synonyms

4'-Acetamidochalcone oxidetrans-4'-Acetamidochalcone oxideCCRIS 2218ACETAMIDE, N-(4-((3-PHENYLOXIRANYL)CARBONYL)PHENYL)-, trans-82389-38-6BRN 0255575trans-N-(4-((3-Phenyloxiranyl)carbonyl)phenyl)acetamideDTXSID9010026501-18-00-00575 (Beilstein Handbook Reference)N-[4-(3-Phenyloxirane-2-carbonyl)phenyl]ethanimidic acidN-{4-[(2S,3R)-3-Phenyloxirane-2-carbonyl]phenyl}ethanimidic acid

Database identifiers

CAS: 82389-38-6
PubChem CID: 54860
DTXSID: DTXSID901002650

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 395

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