
 CHEMBL3104771

 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3104771

>  <PubChem CID>
73212588

>  <Formula>
C26H35N3O3

>  <Molecular Weight>
437.584000

>  <IUPAC Name>
2-(3,5-dimethylphenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C(C)(C)C(=O)NC(C2=CC=CC=C2)C(=O)NCCN3CCOCC3)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)C(C)(C)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)NCCN3CCOCC3)C

>  <InChI Std. ID>
InChI=1S/C26H35N3O3/c1-19-16-20(2)18-22(17-19)26(3,4)25(31)28-23(21-8-6-5-7-9-21)24(30)27-10-11-29-12-14-32-15-13-29/h5-9,16-18,23H,10-15H2,1-4H3,(H,27,30)(H,28,31)/t23-/m0/s1

>  <InChI Key>
BKDQVYDRBXSHIN-QHCPKHFHSA-N

