EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:105639 - N-[4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide

ChEBI IDCHEBI:105639
ChEBI NameN-[4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
Stars
DownloadsMolfile
FormulaC22H27BrN2O4
Net Charge0
Average Mass463.372
Monoisotopic Mass462.11542
SMILESC=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)cc1OC
InChIInChI=1S/C22H27BrN2O4/c1-6-9-29-21-17(23)10-15(11-20(21)28-5)13-24-16-7-8-18(19(12-16)27-4)25-22(26)14(2)3/h6-8,10-12,14,24H,1,9,13H2,2-5H3,(H,25,26)
InChIKeyYIDPKGRSWRIPAA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide (CHEBI:105639) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-17002LINCS