N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

C26H31NO4 — CID 21046250

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (PubChem CID 21046250) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
• PubChem CID: 21046250
• Molecular Formula: C26H31NO4
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.23
• IUPAC Name: N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
• SMILES: COc1ccccc1CC(C)N(C)C(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1
• InChI: InChI=1S/C26H31NO4/c1-17(2)20-12-11-18(3)24(16-20)31-25-14-13-23(30-25)26(28)27(5)19(4)15-21-9-7-8-10-22(21)29-6/h7-14,16-17,19H,15H2,1-6H3
• InChIKey: AUKUUFYKKZSVGZ-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?

The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (CID 21046250) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.

What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?

The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is COc1ccccc1CC(C)N(C)C(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1.

What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?

The InChIKey is AUKUUFYKKZSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-17(2)20-12-11-18(3)24(16-20)31-25-14-13-23(30-25)26(28)27(5)19(4)15-21-9-7-8-10-22(21)29-6/h7-14,16-17,19H,15H2,1-6H3.

What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 21046250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).