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

C26H27FN6O4 — CID 25310681

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

(2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 25310681) has the molecular formula C26H27FN6O4 and a molecular weight of 506.54 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 25310681
• Molecular Formula: C26H27FN6O4
• Molecular Weight: 506.54 g/mol
• Exact Mass: 506.21
• IUPAC Name: (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1
• InChI: InChI=1S/C26H27FN6O4/c1-16-8-13-21(37-16)24-29-31-32(30-24)15-22(35)33(19-7-5-6-18(27)14-19)23(25(36)28-26(2,3)4)17-9-11-20(34)12-10-17/h5-14,23,34H,15H2,1-4H3,(H,28,36)/t23-/m1/s1
• InChIKey: AAEOGTPTAVCOSY-HSZRJFAPSA-N
• XLogP: 3.78
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.54
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (CID 25310681) is (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

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

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

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

The InChIKey is AAEOGTPTAVCOSY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN6O4/c1-16-8-13-21(37-16)24-29-31-32(30-24)15-22(35)33(19-7-5-6-18(27)14-19)23(25(36)28-26(2,3)4)17-9-11-20(34)12-10-17/h5-14,23,34H,15H2,1-4H3,(H,28,36)/t23-/m1/s1.

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

(2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 506.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 25310681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).