(2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C28H30N6O5 — CID 1154034

About (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

(2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1154034) has the molecular formula C28H30N6O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 1154034
• Molecular Formula: C28H30N6O5
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.23
• IUPAC Name: (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1
• InChI: InChI=1S/C28H30N6O5/c1-18-8-11-20(12-9-18)27-30-32-33(31-27)17-25(36)34(21-5-3-6-22(35)15-21)26(24-13-10-19(2)39-24)28(37)29-16-23-7-4-14-38-23/h3,5-6,8-13,15,23,26,35H,4,7,14,16-17H2,1-2H3,(H,29,37)/t23-,26+/m0/s1
• InChIKey: INZXXWHGCYEOHR-JYFHCDHNSA-N
• XLogP: 3.33
• TPSA: 135.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The IUPAC name of (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1154034) is (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

What is the SMILES notation for (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The canonical SMILES for (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1.

What is the InChIKey of (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

The InChIKey is INZXXWHGCYEOHR-JYFHCDHNSA-N. The full InChI is InChI=1S/C28H30N6O5/c1-18-8-11-20(12-9-18)27-30-32-33(31-27)17-25(36)34(21-5-3-6-22(35)15-21)26(24-13-10-19(2)39-24)28(37)29-16-23-7-4-14-38-23/h3,5-6,8-13,15,23,26,35H,4,7,14,16-17H2,1-2H3,(H,29,37)/t23-,26+/m0/s1.

What are the key properties of (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?

(2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 530.59 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1154034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).