N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide

C25H32N6O4 — CID 3180097

About N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide

N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide (PubChem CID 3180097) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide
• PubChem CID: 3180097
• Molecular Formula: C25H32N6O4
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.25
• IUPAC Name: N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C25H32N6O4/c1-17-8-11-19(12-9-17)23(25(34)26-20-6-3-4-7-20)30(14-5-15-32)22(33)16-31-28-24(27-29-31)21-13-10-18(2)35-21/h8-13,20,23,32H,3-7,14-16H2,1-2H3,(H,26,34)
• InChIKey: KEGZAFLXZCVWFU-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide (CID 3180097) is N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.

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

The InChIKey is KEGZAFLXZCVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-17-8-11-19(12-9-17)23(25(34)26-20-6-3-4-7-20)30(14-5-15-32)22(33)16-31-28-24(27-29-31)21-13-10-18(2)35-21/h8-13,20,23,32H,3-7,14-16H2,1-2H3,(H,26,34).

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

N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide has a molecular weight of 480.57 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3180097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).