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

C26H31FN6O3 — CID 3174699

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

N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (PubChem CID 3174699) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
• PubChem CID: 3174699
• Molecular Formula: C26H31FN6O3
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.24
• IUPAC Name: N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
• InChI: InChI=1S/C26H31FN6O3/c1-17-10-15-22(36-17)25-29-31-32(30-25)16-23(34)33(21-8-4-5-9-21)24(18-11-13-19(27)14-12-18)26(35)28-20-6-2-3-7-20/h10-15,20-21,24H,2-9,16H2,1H3,(H,28,35)
• InChIKey: NJJSDSAFXAWEIP-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (CID 3174699) is N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1.

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

The InChIKey is NJJSDSAFXAWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-17-10-15-22(36-17)25-29-31-32(30-25)16-23(34)33(21-8-4-5-9-21)24(18-11-13-19(27)14-12-18)26(35)28-20-6-2-3-7-20/h10-15,20-21,24H,2-9,16H2,1H3,(H,28,35).

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

N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 494.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3174699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).