3-[4-(hexadecylamino)phenyl]prop-2-ynamide

Systemtic Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynamide Openeye Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynamide CAS Name: 3-[4-(hexadecylamino)phenyl]-2-propynamide IUPAC Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynamide Traditional Name: 3-[4-(cetylamino)phenyl]propiolamide Formula: C25H40N2O MolecularWeight: 384.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)N

InChI

InChI=1S/C25H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-24-19-16-23(17-20-24)18-21-25(26)28/h16-17,19-20,27H,2-15,22H2,1H3,(H2,26,28)