N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide

C25H34N6O5 — CID 3174772

About N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide

N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3174772) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3174772
• Molecular Formula: C25H34N6O5
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.26
• IUPAC Name: N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
• SMILES: CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(C)o1
• InChI: InChI=1S/C25H34N6O5/c1-4-34-15-7-14-30(22(32)16-31-28-24(27-29-31)21-13-11-18(3)36-21)23(20-12-10-17(2)35-20)25(33)26-19-8-5-6-9-19/h10-13,19,23H,4-9,14-16H2,1-3H3,(H,26,33)
• InChIKey: PUQNGOQYMIDASX-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide (CID 3174772) is N-cyclopentyl-2-[3-ethoxypropyl-[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-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(C)o1.

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

The InChIKey is PUQNGOQYMIDASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-4-34-15-7-14-30(22(32)16-31-28-24(27-29-31)21-13-11-18(3)36-21)23(20-12-10-17(2)35-20)25(33)26-19-8-5-6-9-19/h10-13,19,23H,4-9,14-16H2,1-3H3,(H,26,33).

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

N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.20, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3174772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).