N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

C26H32N4O3 — CID 55668527

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55668527) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55668527
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCc2nc(C(C)(C)C)no2)c1
• InChI: InChI=1S/C26H32N4O3/c1-18(21-12-9-13-22(16-21)27-19(2)31)30(17-20-10-7-6-8-11-20)24(32)15-14-23-28-25(29-33-23)26(3,4)5/h6-13,16,18H,14-15,17H2,1-5H3,(H,27,31)
• InChIKey: XMSCDILEBMFKMJ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (CID 55668527) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCc2nc(C(C)(C)C)no2)c1.

What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is XMSCDILEBMFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(21-12-9-13-22(16-21)27-19(2)31)30(17-20-10-7-6-8-11-20)24(32)15-14-23-28-25(29-33-23)26(3,4)5/h6-13,16,18H,14-15,17H2,1-5H3,(H,27,31).

What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 448.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55668527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).