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

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ChEBI Name 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
ChEBI ID CHEBI:167638
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H24N2O3
Net Charge 0
Average Mass 328.412
Monoisotopic Mass 328.17869
InChI InChI=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)
InChIKey SGUAFYQXFOLMHL-UHFFFAOYSA-N
SMILES CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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)benzamide ChEBI
Last Modified
11 March 2021
General Comment
2021-03-11 This is the entry for material with unpsecified stereochemistry. There are separate entries for the diastereoisomeric mixture (lebetalol) and its individual isomers.