5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

C22H27N3O3 — CID 19462894

About 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 19462894) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
• PubChem CID: 19462894
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
• SMILES: CCn1cc(C(C)NC(=O)c2ccc(COc3c(C)cccc3C)o2)c(C)n1
• InChI: InChI=1S/C22H27N3O3/c1-6-25-12-19(17(5)24-25)16(4)23-22(26)20-11-10-18(28-20)13-27-21-14(2)8-7-9-15(21)3/h7-12,16H,6,13H2,1-5H3,(H,23,26)
• InChIKey: HEEPXVPVFOHSND-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 19462894) is 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is CCn1cc(C(C)NC(=O)c2ccc(COc3c(C)cccc3C)o2)c(C)n1.

What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

The InChIKey is HEEPXVPVFOHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-6-25-12-19(17(5)24-25)16(4)23-22(26)20-11-10-18(28-20)13-27-21-14(2)8-7-9-15(21)3/h7-12,16H,6,13H2,1-5H3,(H,23,26).

What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?

5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19462894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).