
 MLS000556811

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M  END

>  <Chemical Name>
MLS000556811

>  <PubChem CID>
1454983

>  <Formula>
C25H34N2O3

>  <Molecular Weight>
410.558000

>  <IUPAC Name>
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methylfuran-2-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N(CC(=O)NC2CCCC2)C(=O)C3=C(C=C(O3)C(C)(C)C)C

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N(CC(=O)NC2CCCC2)C(=O)C3=C(C=C(O3)C(C)(C)C)C

>  <InChI Std. ID>
InChI=1S/C25H34N2O3/c1-16-10-9-11-17(2)22(16)27(15-21(28)26-19-12-7-8-13-19)24(29)23-18(3)14-20(30-23)25(4,5)6/h9-11,14,19H,7-8,12-13,15H2,1-6H3,(H,26,28)

>  <InChI Key>
ADFOFBMTHOLHHF-UHFFFAOYSA-N

