CHEBI:105581 - 1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
ChEBI ID CHEBI:105581
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H31ClN4O3
Net Charge 0
Average Mass 422.950
Monoisotopic Mass 422.20847
InChI InChI=1S/C21H31ClN4O3/c22-17-5-7-18(8-6-17)24-20(28)25-21(9-2-1-3-10-21)19(27)23-11-4-12-26-13-15-29-16-14-26/h5-8H,1-4,9-16H2,(H,23,27)(H2,24,25,28)
InChIKey YBFYVJOHPDSLSS-UHFFFAOYSA-N
SMILES C1CCC(CC1)(C(=O)NCCCN2CCOCC2)NC(=O)NC3=CC=C(C=C3)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide (CHEBI:105581) is a N-acyl-amino acid (CHEBI:51569)
Manual Xref Database
LSM-16944 LINCS
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