CAS 96-86-6 Diethyl benzamidomalonate (HCID 66790)

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Basic information

CAS: 96-86-6
Standard SMILES: CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC
InChIKey: NMSZTQWZINJIMY-UHFFFAOYSA-N
Molecular formula: C14H17NO5
Average molar mass: 279.29 g/mol
Monoisotopic mass: 279.11067264

Names & identifiers

Preferred name: Diethyl benzamidomalonate
IUPAC: diethyl 2-benzamidopropanedioate
English name: diethyl benzamidomalonate
Molecular formula: C14H17NO5
Molecular weight: 279.29

Names & synonyms

Diethyl benzamidomalonate16798-45-196-86-6Diethyl 2-benzamidomalonateDiethyl benzoylaminomalonatediethyl 2-benzamidopropanedioate1,3-diethyl 2-(phenylformamido)propanedioateMFCD00015160Diethyl-N-benzoylamino malonateBenzamidomalonic acid, diethyl esterdiethyl 2-(phenylcarbonylamino)propane-1,3-dioateEINECS 202-540-4

Show more names

(Benzoylamino)malonic acid diethyl ester1,3-Diethyl 2-(benzoylamino)propanedioate2-(Benzoylamino)malonic acid diethyl ester2-(Benzoylamino)propanedioic acid diethyl esterPropanedioic acid, 2-(benzoylamino)-, 1,3-diethyl ester

Ethyl benzaminomalonateDiethyl2-benzamidomalonateDIETHYL 2-(BENZOYLAMINO)PROPANEDIOATENSC80diethyl 2-benzoylaminomalonateNSC 80SCHEMBL5784044Diethyl 2-(benzoylamino)malonate

Database identifiers

CAS: 96-86-6
PubChem CID: 66790
DTXSID: DTXSID80914696
EC Number: 202-540-4
Nikkaji: J146.958D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 331

Chemistry & industry

Applications

UsesDiethyl Benzoylaminomalonate is an intermediate in the synthesis of (-)-Kaitocephalin, an natural toxin with protective properties against excitotoxic death found in cultured neurons.