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

C21H29N3O2 — CID 110307373

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

3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide (PubChem CID 110307373) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide
• PubChem CID: 110307373
• Molecular Formula: C21H29N3O2
• Molecular Weight: 355.48 g/mol
• Exact Mass: 355.23
• IUPAC Name: 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide
• SMILES: Cc1ccc(C(CC(=O)NC(CC(C)C)c2nnc(C)o2)C2CC2)cc1
• InChI: InChI=1S/C21H29N3O2/c1-13(2)11-19(21-24-23-15(4)26-21)22-20(25)12-18(17-9-10-17)16-7-5-14(3)6-8-16/h5-8,13,17-19H,9-12H2,1-4H3,(H,22,25)
• InChIKey: ADDKJVSVDUAVLR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.48
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide (CID 110307373) is 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide.

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

The canonical SMILES for 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)NC(CC(C)C)c2nnc(C)o2)C2CC2)cc1.

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

The InChIKey is ADDKJVSVDUAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13(2)11-19(21-24-23-15(4)26-21)22-20(25)12-18(17-9-10-17)16-7-5-14(3)6-8-16/h5-8,13,17-19H,9-12H2,1-4H3,(H,22,25).

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

3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110307373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).