N-(1-adamantylcarbamoyl)-2-[(4-methylphenyl)amino]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-methylphenyl)amino]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-methylanilino)propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(4-methylanilino)propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-methylanilino)propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(p-toluidino)propionamide Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-13-3-5-18(6-4-13)22-14(2)19(25)23-20(26)24-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17,22H,7-12H2,1-2H3,(H2,23,24,25,26)