N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H36N2O2/c1-5-20-8-6-7-16(4)22(20)26-23(28)21(15(2)3)27-24(29)25-12-17-9-18(13-25)11-19(10-17)14-25/h6-8,15,17-19,21H,5,9-14H2,1-4H3,(H,26,28)(H,27,29)/t17?,18?,19?,21-,25?/m0/s1