N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide

C28H32N6O6 — CID 3174791

About N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide

N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3174791) has the molecular formula C28H32N6O6 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3174791
• Molecular Formula: C28H32N6O6
• Molecular Weight: 548.60 g/mol
• Exact Mass: 548.24
• IUPAC Name: N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC
• InChI: InChI=1S/C28H32N6O6/c1-18-10-12-23(40-18)26(28(36)29-20-7-4-5-8-20)33(16-21-9-6-14-39-21)25(35)17-34-31-27(30-32-34)19-11-13-22(37-2)24(15-19)38-3/h6,9-15,20,26H,4-5,7-8,16-17H2,1-3H3,(H,29,36)
• InChIKey: VGCWFPBXJWOGMS-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.60
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide (CID 3174791) is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide is COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC.

What is the InChIKey of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is VGCWFPBXJWOGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O6/c1-18-10-12-23(40-18)26(28(36)29-20-7-4-5-8-20)33(16-21-9-6-14-39-21)25(35)17-34-31-27(30-32-34)19-11-13-22(37-2)24(15-19)38-3/h6,9-15,20,26H,4-5,7-8,16-17H2,1-3H3,(H,29,36).

What are the key properties of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide?

N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 548.60 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3174791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).