Diethyl acetamido[(naphthalen-1-yl)methyl]propanedioate

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Basic information

CAS: 5440-57-3
Standard SMILES: CCOC(=O)C(Cc1cccc2ccccc12)(NC(C)=O)C(=O)OCC
InChIKey: LGRLDHYLVHVRRC-UHFFFAOYSA-N
Molecular formula: C20H23NO5
Average molar mass: 357.4 g/mol
Monoisotopic mass: 357.15762283

Names & identifiers

Preferred name: Diethyl acetamido[(naphthalen-1-yl)methyl]propanedioate
IUPAC: diethyl 2-acetamido-2-(naphthalen-1-ylmethyl)propanedioate

Names & synonyms

5440-57-3NSC20188Diethyl acetamido[(naphthalen-1-yl)methyl]propanedioateSCHEMBL27394284DTXSID10281126LGRLDHYLVHVRRC-UHFFFAOYSA-NNSC-20188DIETHYL 2-[(1-NAPHTHYL)METHYL]-2-ACETAMIDOMALONATE

Database identifiers

CAS: 5440-57-3
PubChem CID: 227964
DTXSID: DTXSID10281126
Nikkaji: J2.103.921G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 26
Formal charge: 0
Complexity: 500

Related reactions

1 records

New reaction record

HRID 1457929As productuspto-grants-1998_12

Compound notes

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