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

C25H29ClN6O4 — CID 40665266

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

(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 40665266) has the molecular formula C25H29ClN6O4 and a molecular weight of 513.00 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 40665266
• Molecular Formula: C25H29ClN6O4
• Molecular Weight: 513.00 g/mol
• Exact Mass: 512.19
• IUPAC Name: (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(CCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)cc1
• InChI: InChI=1S/C25H29ClN6O4/c1-36-21-12-8-18(9-13-21)24-28-30-32(29-24)16-22(34)31(14-15-33)23(17-6-10-19(26)11-7-17)25(35)27-20-4-2-3-5-20/h6-13,20,23,33H,2-5,14-16H2,1H3,(H,27,35)/t23-/m1/s1
• InChIKey: BVZGQUVBENMWRK-HSZRJFAPSA-N
• XLogP: 2.62
• TPSA: 122.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.00
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide (CID 40665266) is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

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

The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide is COc1ccc(-c2nnn(CC(=O)N(CCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)cc1.

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

The InChIKey is BVZGQUVBENMWRK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29ClN6O4/c1-36-21-12-8-18(9-13-21)24-28-30-32(29-24)16-22(34)31(14-15-33)23(17-6-10-19(26)11-7-17)25(35)27-20-4-2-3-5-20/h6-13,20,23,33H,2-5,14-16H2,1H3,(H,27,35)/t23-/m1/s1.

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

(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 513.00 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 40665266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).