Diethyl 2-acetamido-2-[3-(phenylhydrazinylidene)propyl]propanedioate

HCID 239999

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Basic information

CAS: 6297-96-7
Standard SMILES: CCOC(=O)C(CCC=NNc1ccccc1)(NC(C)=O)C(=O)OCC
InChIKey: BPYGJQZSDAXMGE-UHFFFAOYSA-N
Molecular formula: C18H25N3O5
Average molar mass: 363.4 g/mol
Monoisotopic mass: 363.17942091

Names & identifiers

Preferred name: Diethyl 2-acetamido-2-[3-(phenylhydrazinylidene)propyl]propanedioate
IUPAC: diethyl 2-acetamido-2-[3-(phenylhydrazinylidene)propyl]propanedioate

Names & synonyms

6297-96-7diethyl 2-acetamido-2-[3-(phenylhydrazinylidene)propyl]propanedioateSCHEMBL11575261DTXSID90978840DS-000955N-[1-Ethoxy-2-(ethoxycarbonyl)-1-oxo-5-(2-phenylhydrazinylidene)pentan-2-yl]ethanimidic acid

Database identifiers

CAS: 6297-96-7
PubChem CID: 239999
DTXSID: DTXSID90978840

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 26
Formal charge: 0
Complexity: 483

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