Ethyl 4-[acetyl(pent-4-en-1-yl)amino]benzoate

HCID 259658

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Basic information

CAS: 10083-99-5
Standard SMILES: C=CCCCN(C(C)=O)c1ccc(C(=O)OCC)cc1
InChIKey: OJVUUDPXIFKNON-UHFFFAOYSA-N
Molecular formula: C16H21NO3
Average molar mass: 275.34 g/mol
Monoisotopic mass: 275.15214353

Names & identifiers

Preferred name: Ethyl 4-[acetyl(pent-4-en-1-yl)amino]benzoate
IUPAC: ethyl 4-[acetyl(pent-4-enyl)amino]benzoate

Names & synonyms

10083-99-5ethyl 4-[acetyl(pent-4-en-1-yl)amino]benzoateNSC89802NCIOpen2_006123DTXSID70905775NSC-89802ETHYL 4-[N-(PENT-4-EN-1-YL)ACETAMIDO]BENZOATEBenzoic acid, 4-(acetyl-4-penten-1-ylamino)-, ethyl ester

Database identifiers

CAS: 10083-99-5
PubChem CID: 259658
DTXSID: DTXSID70905775

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 333

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