
 MLS000549502

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M  END

>  <Chemical Name>
MLS000549502

>  <PubChem CID>
4287683

>  <Formula>
C34H45N3O3

>  <Molecular Weight>
543.752000

>  <IUPAC Name>
N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

>  <InChI Std. ID>
InChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)

>  <InChI Key>
CZWKWMBVBQSYHN-UHFFFAOYSA-N

