3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

C24H24N2O3 — CID 45177695

About 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (PubChem CID 45177695) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
• PubChem CID: 45177695
• Molecular Formula: C24H24N2O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.18
• IUPAC Name: 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
• SMILES: COc1ccc(CCC(=O)NCC2Cc3cccc(-c4cccnc4)c3O2)cc1
• InChI: InChI=1S/C24H24N2O3/c1-28-20-10-7-17(8-11-20)9-12-23(27)26-16-21-14-18-4-2-6-22(24(18)29-21)19-5-3-13-25-15-19/h2-8,10-11,13,15,21H,9,12,14,16H2,1H3,(H,26,27)
• InChIKey: JBVZKJYCQGALQA-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The IUPAC name of 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (CID 45177695) is 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2Cc3cccc(-c4cccnc4)c3O2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

The InChIKey is JBVZKJYCQGALQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-20-10-7-17(8-11-20)9-12-23(27)26-16-21-14-18-4-2-6-22(24(18)29-21)19-5-3-13-25-15-19/h2-8,10-11,13,15,21H,9,12,14,16H2,1H3,(H,26,27).

What are the key properties of 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?

3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide has a molecular weight of 388.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is sourced from PubChem (CID 45177695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).