5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide

C23H29N3O3 — CID 19450499

About 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide

5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19450499) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
• PubChem CID: 19450499
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
• SMILES: CCC(C)c1ccc(OCc2ccc(C(=O)NCc3cnn(CC)c3C)o2)cc1
• InChI: InChI=1S/C23H29N3O3/c1-5-16(3)18-7-9-20(10-8-18)28-15-21-11-12-22(29-21)23(27)24-13-19-14-25-26(6-2)17(19)4/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)
• InChIKey: SLVPBEKRHICXRW-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19450499) is 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide is CCC(C)c1ccc(OCc2ccc(C(=O)NCc3cnn(CC)c3C)o2)cc1.

What is the InChIKey of 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The InChIKey is SLVPBEKRHICXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-16(3)18-7-9-20(10-8-18)28-15-21-11-12-22(29-21)23(27)24-13-19-14-25-26(6-2)17(19)4/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27).

What are the key properties of 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-butan-2-ylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).