(2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide

C28H33FN6O3 — CID 25446712

About (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide

(2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide (PubChem CID 25446712) has the molecular formula C28H33FN6O3 and a molecular weight of 520.61 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide
• PubChem CID: 25446712
• Molecular Formula: C28H33FN6O3
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.26
• IUPAC Name: (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
• InChI: InChI=1S/C28H33FN6O3/c1-19-8-10-20(11-9-19)26(28(37)30-23-5-2-3-6-23)34(17-24-7-4-16-38-24)25(36)18-35-32-27(31-33-35)21-12-14-22(29)15-13-21/h8-15,23-24,26H,2-7,16-18H2,1H3,(H,30,37)/t24-,26-/m1/s1
• InChIKey: URGVFQKCGUUELR-AOYPEHQESA-N
• XLogP: 3.60
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide (CID 25446712) is (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide is Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1.

What is the InChIKey of (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide?

The InChIKey is URGVFQKCGUUELR-AOYPEHQESA-N. The full InChI is InChI=1S/C28H33FN6O3/c1-19-8-10-20(11-9-19)26(28(37)30-23-5-2-3-6-23)34(17-24-7-4-16-38-24)25(36)18-35-32-27(31-33-35)21-12-14-22(29)15-13-21/h8-15,23-24,26H,2-7,16-18H2,1H3,(H,30,37)/t24-,26-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide?

(2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide has a molecular weight of 520.61 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 25446712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).