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CHEBI:123291 - N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide

ChEBI IDCHEBI:123291
ChEBI NameN-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
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FormulaC20H22N2O4
Net Charge0
Average Mass354.406
Monoisotopic Mass354.15796
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C20H22N2O4/c1-20(2,3)22-18(23)13-8-10-14(11-9-13)21-19(24)17-12-25-15-6-4-5-7-16(15)26-17/h4-11,17H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyPTFVLKUZOCJAQV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide (CHEBI:123291) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-34733LINCS