EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77401 - 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate

ChEBI IDCHEBI:77401
ChEBI Name1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate
Stars
DefinitionA propanoate ester that is propyl propanoate substituted by a benzyl and phenyl group at position 1, a methyl group at position 2 and a dimethylamino group at position 3.
Last Modified20 February 2014
Submitternamrata
DownloadsMolfile
FormulaC22H29NO2
Net Charge0
Average Mass339.479
Monoisotopic Mass339.21983
SMILESCCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3
InChIKeyXLMALTXPSGQGBX-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)
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate (CHEBI:77401) is a propanoate ester (CHEBI:36243)
1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate (CHEBI:77401) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
dextropropoxyphene (CHEBI:51173) is a 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate (CHEBI:77401)
levopropoxyphene (CHEBI:51174) is a 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate (CHEBI:77401)