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

C24H30N6O5 — CID 25447752

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

(2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (PubChem CID 25447752) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 25447752
• Molecular Formula: C24H30N6O5
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.23
• IUPAC Name: (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc([C@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C24H30N6O5/c1-16-7-12-20(35-16)23-26-28-30(27-23)15-21(32)29(13-14-31)22(17-8-10-19(34-2)11-9-17)24(33)25-18-5-3-4-6-18/h7-12,18,22,31H,3-6,13-15H2,1-2H3,(H,25,33)/t22-/m1/s1
• InChIKey: HNXMNKCGNLHGCU-JOCHJYFZSA-N
• XLogP: 1.87
• TPSA: 135.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide (CID 25447752) is (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide.

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

The canonical SMILES for (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is COc1ccc([C@H](C(=O)NC2CCCC2)N(CCO)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.

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

The InChIKey is HNXMNKCGNLHGCU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-16-7-12-20(35-16)23-26-28-30(27-23)15-21(32)29(13-14-31)22(17-8-10-19(34-2)11-9-17)24(33)25-18-5-3-4-6-18/h7-12,18,22,31H,3-6,13-15H2,1-2H3,(H,25,33)/t22-/m1/s1.

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

(2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 482.54 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 25447752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).