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

C27H34N6O5 — CID 3180246

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

N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 3180246) has the molecular formula C27H34N6O5 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
• PubChem CID: 3180246
• Molecular Formula: C27H34N6O5
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.26
• IUPAC Name: N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
• SMILES: COc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C27H34N6O5/c1-18-9-14-23(38-18)26-29-31-33(30-26)17-24(34)32(16-22-8-5-15-37-22)25(19-10-12-21(36-2)13-11-19)27(35)28-20-6-3-4-7-20/h9-14,20,22,25H,3-8,15-17H2,1-2H3,(H,28,35)
• InChIKey: WOZAGNRRYWVTDD-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 124.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide (CID 3180246) is N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.

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

The InChIKey is WOZAGNRRYWVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O5/c1-18-9-14-23(38-18)26-29-31-33(30-26)17-24(34)32(16-22-8-5-15-37-22)25(19-10-12-21(36-2)13-11-19)27(35)28-20-6-3-4-7-20/h9-14,20,22,25H,3-8,15-17H2,1-2H3,(H,28,35).

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

N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 522.61 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3180246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).