N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide

C22H27NO4 — CID 24550152

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 24550152) 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]-2-(3-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide
• PubChem CID: 24550152
• 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]-2-(3-methylphenoxy)propanamide
• SMILES: CCOc1cc2c(cc1CNC(=O)C(C)Oc1cccc(C)c1)OC(C)C2
• InChI: InChI=1S/C22H27NO4/c1-5-25-20-11-17-10-15(3)26-21(17)12-18(20)13-23-22(24)16(4)27-19-8-6-7-14(2)9-19/h6-9,11-12,15-16H,5,10,13H2,1-4H3,(H,23,24)
• InChIKey: DMQULEIPZLJDDK-UHFFFAOYSA-N
• XLogP: 3.80
• 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	3.80
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]-2-(3-methylphenoxy)propanamide?

The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide (CID 24550152) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide.

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

The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide is CCOc1cc2c(cc1CNC(=O)C(C)Oc1cccc(C)c1)OC(C)C2.

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

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

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 369.46 g/mol, XLogP of 3.80, 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]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 24550152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).