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

C22H27NO4 — CID 9399189

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

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide (PubChem CID 9399189) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide
• PubChem CID: 9399189
• Molecular Formula: C22H27NO4
• Molecular Weight: 369.46 g/mol
• Exact Mass: 369.19
• IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CCOc1ccccc1C)O[C@@H](C)C2
• InChI: InChI=1S/C22H27NO4/c1-4-25-20-12-17-11-16(3)27-21(17)13-18(20)14-23-22(24)9-10-26-19-8-6-5-7-15(19)2/h5-8,12-13,16H,4,9-11,14H2,1-3H3,(H,23,24)/t16-/m0/s1
• InChIKey: ZGSCKKGVKGRWFZ-INIZCTEOSA-N
• XLogP: 3.80
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• 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-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide?

The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide (CID 9399189) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide.

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

The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide is CCOc1cc2c(cc1CNC(=O)CCOc1ccccc1C)O[C@@H](C)C2.

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

The InChIKey is ZGSCKKGVKGRWFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27NO4/c1-4-25-20-12-17-11-16(3)27-21(17)13-18(20)14-23-22(24)9-10-26-19-8-6-5-7-15(19)2/h5-8,12-13,16H,4,9-11,14H2,1-3H3,(H,23,24)/t16-/m0/s1.

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

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 369.46 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9399189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).