EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40994 - 1-isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane

ChEBI IDCHEBI:40994
ChEBI Name1-isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane
Stars
ASCII Name1-isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H34N2O
Net Charge0
Average Mass366.549
Monoisotopic Mass366.26711
SMILES[H]c1c([H])c([H])c(N(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])[C@]([H])(N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1
InChIKeyUIEATEWHFDRYRU-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane (CHEBI:40994) is a N-alkylpyrrolidine (CHEBI:46775)
1-isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane (CHEBI:40994) is a tertiary amine (CHEBI:32876)
Synonyms  Source
1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEPDBeChem
N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]anilinePDBeChem
Manual XrefsDatabases
BEPPDBeChem