N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H24N4O3 — CID 18104453

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 18104453) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 18104453
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1
• InChI: InChI=1S/C22H24N4O3/c1-15-4-8-17(9-5-15)22-25-24-20(29-22)12-13-21(28)26(3)14-19(27)23-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,23,27)
• InChIKey: RWVLUKRPBZOYQX-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 18104453) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1.

What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is RWVLUKRPBZOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-8-17(9-5-15)22-25-24-20(29-22)12-13-21(28)26(3)14-19(27)23-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,23,27).

What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 18104453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).