N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C26H28N6O5 — CID 3180346

About N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 3180346) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 3180346
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1
• InChI: InChI=1S/C26H28N6O5/c1-17-9-14-22(37-17)25-28-30-31(29-25)16-23(33)32(19-10-12-20(35-2)13-11-19)24(21-8-5-15-36-21)26(34)27-18-6-3-4-7-18/h5,8-15,18,24H,3-4,6-7,16H2,1-2H3,(H,27,34)
• InChIKey: BJSRINRUMPXUKW-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 3180346) is N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

What is the SMILES notation for N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The canonical SMILES for N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1.

What is the InChIKey of N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The InChIKey is BJSRINRUMPXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-17-9-14-22(37-17)25-28-30-31(29-25)16-23(33)32(19-10-12-20(35-2)13-11-19)24(21-8-5-15-36-21)26(34)27-18-6-3-4-7-18/h5,8-15,18,24H,3-4,6-7,16H2,1-2H3,(H,27,34).

What are the key properties of N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 504.55 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(furan-2-yl)-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 3180346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).