Molecule ID: 11292824

IUPAC Name: 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide

Description: The molecule is a monocarboxylic acid amide resulting from the condensation of the carboxy group of p-chloromandelic acid propargyl ether with the amino group of 2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethylamine. It is a monocarboxylic acid amide, a terminal acetylenic compound, an aromatic ether and a member of monochlorobenzenes.

SMILES: C#CCOc1ccc(CCN=C(O)C(OCC#C)c2ccc(Cl)cc2)cc1OC

SELFIES: [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][=C][Branch1][C][O][C][Branch1][Branch1][O][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][O][C]

InChI: InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)

Molecular Properties:
- Polar Surface Area: 56.8 Ų
- LogP: 3.9