N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide

C24H30N6O6 — CID 3180271

About N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 3180271) has the molecular formula C24H30N6O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide
• PubChem CID: 3180271
• Molecular Formula: C24H30N6O6
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.22
• IUPAC Name: N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide
• SMILES: COc1cc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)ccc1O
• InChI: InChI=1S/C24H30N6O6/c1-15-7-10-19(36-15)23-26-28-30(27-23)14-21(33)29(11-12-31)22(24(34)25-17-5-3-4-6-17)16-8-9-18(32)20(13-16)35-2/h7-10,13,17,22,31-32H,3-6,11-12,14H2,1-2H3,(H,25,34)
• InChIKey: MGTNXKNIGRDRMY-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 155.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-hydroxy-3-methoxyphenyl)acetamide?

The IUPAC name of N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 3180271) is N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)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-hydroxy-3-methoxyphenyl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(C(C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)ccc1O.

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

The InChIKey is MGTNXKNIGRDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O6/c1-15-7-10-19(36-15)23-26-28-30(27-23)14-21(33)29(11-12-31)22(24(34)25-17-5-3-4-6-17)16-8-9-18(32)20(13-16)35-2/h7-10,13,17,22,31-32H,3-6,11-12,14H2,1-2H3,(H,25,34).

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

N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 498.54 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 3180271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).