(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C26H28N6O6 — CID 40665354

About (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 40665354) has the molecular formula C26H28N6O6 and a molecular weight of 520.55 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 40665354
• Molecular Formula: C26H28N6O6
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.21
• IUPAC Name: (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1
• InChI: InChI=1S/C26H28N6O6/c1-35-19-10-8-18(9-11-19)25-28-30-32(29-25)17-23(33)31(16-21-6-3-13-37-21)24(22-7-4-14-38-22)26(34)27-15-20-5-2-12-36-20/h3-4,6-11,13-14,20,24H,2,5,12,15-17H2,1H3,(H,27,34)/t20-,24-/m1/s1
• InChIKey: UJWZFXGDUXASTI-HYBUGGRVSA-N
• XLogP: 2.60
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The IUPAC name of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 40665354) is (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

What is the SMILES notation for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The canonical SMILES for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1.

What is the InChIKey of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

The InChIKey is UJWZFXGDUXASTI-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H28N6O6/c1-35-19-10-8-18(9-11-19)25-28-30-32(29-25)17-23(33)31(16-21-6-3-13-37-21)24(22-7-4-14-38-22)26(34)27-15-20-5-2-12-36-20/h3-4,6-11,13-14,20,24H,2,5,12,15-17H2,1H3,(H,27,34)/t20-,24-/m1/s1.

What are the key properties of (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?

(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 520.55 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40665354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).