N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C27H26N2O4 — CID 31929309

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 31929309) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 31929309
• Molecular Formula: C27H26N2O4
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.19
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
• SMILES: Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1oc2ccccc2c1COc1ccccc1
• InChI: InChI=1S/C27H26N2O4/c1-18-10-9-11-19(2)25(18)28-24(30)16-29(3)27(31)26-22(17-32-20-12-5-4-6-13-20)21-14-7-8-15-23(21)33-26/h4-15H,16-17H2,1-3H3,(H,28,30)
• InChIKey: PAMQNXRNZLUTJX-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 31929309) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1oc2ccccc2c1COc1ccccc1.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is PAMQNXRNZLUTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-18-10-9-11-19(2)25(18)28-24(30)16-29(3)27(31)26-22(17-32-20-12-5-4-6-13-20)21-14-7-8-15-23(21)33-26/h4-15H,16-17H2,1-3H3,(H,28,30).

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31929309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).