N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

C26H28N6O5 — CID 3178995

About N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 3178995) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 3178995
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1
• InChI: InChI=1S/C26H28N6O5/c1-16-8-13-21(37-16)24-28-30-31(29-24)15-22(35)32(18-6-5-7-20(34)14-18)23(25(36)27-26(2,3)4)17-9-11-19(33)12-10-17/h5-14,23,33-34H,15H2,1-4H3,(H,27,36)
• InChIKey: FZEYGKKDBKQKCT-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 146.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The IUPAC name of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (CID 3178995) is N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The canonical SMILES for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1.

What is the InChIKey of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

The InChIKey is FZEYGKKDBKQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-16-8-13-21(37-16)24-28-30-31(29-24)15-22(35)32(18-6-5-7-20(34)14-18)23(25(36)27-26(2,3)4)17-9-11-19(33)12-10-17/h5-14,23,33-34H,15H2,1-4H3,(H,27,36).

What are the key properties of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?

N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 504.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3178995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).