(2R)-N-(1-adamantylcarbamoyl)-2-[(2-methoxy-5-methyl-phenyl)amino]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(2-methoxy-5-methyl-phenyl)amino]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(2-methoxy-5-methyl-anilino)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-(2-methoxy-5-methylanilino)propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(2-methoxy-5-methylanilino)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(2-methoxy-5-methyl-anilino)propionamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O3/c1-13-4-5-19(28-3)18(6-13)23-14(2)20(26)24-21(27)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,14-17,23H,7-12H2,1-3H3,(H2,24,25,26,27)/t14-,15?,16?,17?,22?/m1/s1