2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide

C22H27NO3 — CID 18198454

About 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide

2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide (PubChem CID 18198454) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide
• PubChem CID: 18198454
• Molecular Formula: C22H27NO3
• Molecular Weight: 353.46 g/mol
• Exact Mass: 353.20
• IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide
• SMILES: CCOc1cc2c(cc1CNC(=O)Cc1ccc(C)c(C)c1)OC(C)C2
• InChI: InChI=1S/C22H27NO3/c1-5-25-20-11-18-9-16(4)26-21(18)12-19(20)13-23-22(24)10-17-7-6-14(2)15(3)8-17/h6-8,11-12,16H,5,9-10,13H2,1-4H3,(H,23,24)
• InChIKey: QHXPPTNESDQTLO-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.46
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide?

The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide (CID 18198454) is 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide?

The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide is CCOc1cc2c(cc1CNC(=O)Cc1ccc(C)c(C)c1)OC(C)C2.

What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide?

The InChIKey is QHXPPTNESDQTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-25-20-11-18-9-16(4)26-21(18)12-19(20)13-23-22(24)10-17-7-6-14(2)15(3)8-17/h6-8,11-12,16H,5,9-10,13H2,1-4H3,(H,23,24).

What are the key properties of 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide?

2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide has a molecular weight of 353.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide is sourced from PubChem (CID 18198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).