EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167638 - 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide

ChEBI IDCHEBI:167638
ChEBI Name2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
Stars
DefinitionA member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.
Last Modified11 March 2021
SubmitterAdnan
DownloadsMolfile
FormulaC19H24N2O3
Net Charge0
Average Mass328.412
Monoisotopic Mass328.17869
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
InChIKeySGUAFYQXFOLMHL-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)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a benzamides (CHEBI:22702)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a benzenes (CHEBI:22712)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a phenols (CHEBI:33853)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a primary carboxamide (CHEBI:140324)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a salicylamides (CHEBI:53443)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a secondary alcohol (CHEBI:35681)
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R,R)-labetalol (CHEBI:94471) is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638)
(R,S)-labetolol (CHEBI:167640) is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638)
(S,R)-labetolol (CHEBI:167641) is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638)
(S,S)-labetalol (CHEBI:167639) is a 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide (CHEBI:167638)
IUPAC Name 
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
Synonym  Source
2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)benzamideChEBI