2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide

C23H29N3O3 — CID 122265612

About 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide (PubChem CID 122265612) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
• PubChem CID: 122265612
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
• SMILES: Cc1cc(C)n(C(CNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccco2)n1
• InChI: InChI=1S/C23H29N3O3/c1-16-13-17(2)26(25-16)20(21-7-6-12-28-21)14-24-22(27)15-29-19-10-8-18(9-11-19)23(3,4)5/h6-13,20H,14-15H2,1-5H3,(H,24,27)
• InChIKey: BEKLMDDQZOAAEJ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide (CID 122265612) is 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide is Cc1cc(C)n(C(CNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccco2)n1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?

The InChIKey is BEKLMDDQZOAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-13-17(2)26(25-16)20(21-7-6-12-28-21)14-24-22(27)15-29-19-10-8-18(9-11-19)23(3,4)5/h6-13,20H,14-15H2,1-5H3,(H,24,27).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?

2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 122265612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).