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

C30H36N6O6 — CID 3174786

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

N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3174786) has the molecular formula C30H36N6O6 and a molecular weight of 576.65 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3174786
• Molecular Formula: C30H36N6O6
• Molecular Weight: 576.65 g/mol
• Exact Mass: 576.27
• IUPAC Name: N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1OC
• InChI: InChI=1S/C30H36N6O6/c1-19-9-12-24(41-19)28(30(38)31-22-7-5-6-8-22)35(16-15-21-11-14-23(39-3)26(17-21)40-4)27(37)18-36-33-29(32-34-36)25-13-10-20(2)42-25/h9-14,17,22,28H,5-8,15-16,18H2,1-4H3,(H,31,38)
• InChIKey: BUXGHNVSEYTQSU-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.65
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (CID 3174786) is N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1OC.

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

The InChIKey is BUXGHNVSEYTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O6/c1-19-9-12-24(41-19)28(30(38)31-22-7-5-6-8-22)35(16-15-21-11-14-23(39-3)26(17-21)40-4)27(37)18-36-33-29(32-34-36)25-13-10-20(2)42-25/h9-14,17,22,28H,5-8,15-16,18H2,1-4H3,(H,31,38).

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

N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 576.65 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3174786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).