3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide

C29H32N4O6 — CID 91056778

About 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide

3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide (PubChem CID 91056778) has the molecular formula C29H32N4O6 and a molecular weight of 532.60 g/mol. Its IUPAC name is 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide.

Molecular Properties

• Compound Name: 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide
• PubChem CID: 91056778
• Molecular Formula: C29H32N4O6
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.23
• IUPAC Name: 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide
• SMILES: CCCNC(=O)CC(CC)c1ccc2oc(C3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1
• InChI: InChI=1S/C29H32N4O6/c1-4-10-30-25(34)13-17(5-2)18-7-9-23-20(11-18)12-24(39-23)29(27(36)31-28(37)32-29)16-33-15-19-6-8-21(38-3)14-22(19)26(33)35/h6-9,11-12,14,17H,4-5,10,13,15-16H2,1-3H3,(H,30,34)(H2,31,32,36,37)
• InChIKey: LGDCUZOMYRWPJV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 129.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide?

The IUPAC name of 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide (CID 91056778) is 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide.

What is the SMILES notation for 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide?

The canonical SMILES for 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide is CCCNC(=O)CC(CC)c1ccc2oc(C3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2c1.

What is the InChIKey of 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide?

The InChIKey is LGDCUZOMYRWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O6/c1-4-10-30-25(34)13-17(5-2)18-7-9-23-20(11-18)12-24(39-23)29(27(36)31-28(37)32-29)16-33-15-19-6-8-21(38-3)14-22(19)26(33)35/h6-9,11-12,14,17H,4-5,10,13,15-16H2,1-3H3,(H,30,34)(H2,31,32,36,37).

What are the key properties of 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide?

3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide has a molecular weight of 532.60 g/mol, XLogP of 3.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]-N-propylpentanamide is sourced from PubChem (CID 91056778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).