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

C29H32N6O6 — CID 3175035

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

2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3175035) has the molecular formula C29H32N6O6 and a molecular weight of 560.61 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 3175035
• Molecular Formula: C29H32N6O6
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.24
• IUPAC Name: 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
• SMILES: COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1
• InChI: InChI=1S/C29H32N6O6/c1-38-22-11-7-20(8-12-22)18-34(27(25-6-4-16-41-25)29(37)30-17-24-5-3-15-40-24)26(36)19-35-32-28(31-33-35)21-9-13-23(39-2)14-10-21/h4,6-14,16,24,27H,3,5,15,17-19H2,1-2H3,(H,30,37)
• InChIKey: FIARALYWWNFHMK-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 133.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3175035) is 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

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

The canonical SMILES for 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1.

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

The InChIKey is FIARALYWWNFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O6/c1-38-22-11-7-20(8-12-22)18-34(27(25-6-4-16-41-25)29(37)30-17-24-5-3-15-40-24)26(36)19-35-32-28(31-33-35)21-9-13-23(39-2)14-10-21/h4,6-14,16,24,27H,3,5,15,17-19H2,1-2H3,(H,30,37).

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

2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 560.61 g/mol, XLogP of 3.02, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3175035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).