N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C25H30N2O3 — CID 18112303

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 18112303) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• PubChem CID: 18112303
• Molecular Formula: C25H30N2O3
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.23
• IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• SMILES: Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2cc1C(C)C
• InChI: InChI=1S/C25H30N2O3/c1-15(2)20-12-21-19(14-30-22(21)10-18(20)5)11-24(29)27(6)13-23(28)26-25-16(3)8-7-9-17(25)4/h7-10,12,14-15H,11,13H2,1-6H3,(H,26,28)
• InChIKey: QDYYEMPPURYPBP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 18112303) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2cc1C(C)C.

What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The InChIKey is QDYYEMPPURYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-15(2)20-12-21-19(14-30-22(21)10-18(20)5)11-24(29)27(6)13-23(28)26-25-16(3)8-7-9-17(25)4/h7-10,12,14-15H,11,13H2,1-6H3,(H,26,28).

What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18112303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).