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

C22H27NO4 — CID 18274536

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

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 18274536) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide
• PubChem CID: 18274536
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.19
• IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1ccc(OC(C)C)cc1)OC(C)C2
• InChI: InChI=1S/C22H27NO4/c1-5-25-20-11-17-10-15(4)27-21(17)12-18(20)13-23-22(24)16-6-8-19(9-7-16)26-14(2)3/h6-9,11-12,14-15H,5,10,13H2,1-4H3,(H,23,24)
• InChIKey: HKJPKAJELIUZCF-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.46
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide (CID 18274536) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide.

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

The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide is CCOc1cc2c(cc1CNC(=O)c1ccc(OC(C)C)cc1)OC(C)C2.

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

The InChIKey is HKJPKAJELIUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-25-20-11-17-10-15(4)27-21(17)12-18(20)13-23-22(24)16-6-8-19(9-7-16)26-14(2)3/h6-9,11-12,14-15H,5,10,13H2,1-4H3,(H,23,24).

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

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 369.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 18274536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).