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

C24H30N6O4 — CID 3180095

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

N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide (PubChem CID 3180095) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide
• PubChem CID: 3180095
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C24H30N6O4/c1-16-7-10-18(11-8-16)22(24(33)25-19-5-3-4-6-19)29(13-14-31)21(32)15-30-27-23(26-28-30)20-12-9-17(2)34-20/h7-12,19,22,31H,3-6,13-15H2,1-2H3,(H,25,33)
• InChIKey: PSWFVYZYEURUSC-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide (CID 3180095) is N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide.

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

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

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

The InChIKey is PSWFVYZYEURUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-16-7-10-18(11-8-16)22(24(33)25-19-5-3-4-6-19)29(13-14-31)21(32)15-30-27-23(26-28-30)20-12-9-17(2)34-20/h7-12,19,22,31H,3-6,13-15H2,1-2H3,(H,25,33).

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

N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide has a molecular weight of 466.54 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3180095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).