2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide

C24H24N2O4 — CID 55808091

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide (PubChem CID 55808091) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
• PubChem CID: 55808091
• Molecular Formula: C24H24N2O4
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.17
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
• SMILES: Cc1c(C(C)NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)oc2ccccc12
• InChI: InChI=1S/C24H24N2O4/c1-13(2)20(26-23(28)17-10-5-6-11-18(17)24(26)29)22(27)25-15(4)21-14(3)16-9-7-8-12-19(16)30-21/h5-13,15,20H,1-4H3,(H,25,27)
• InChIKey: ZMRNEKASBXJJQF-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide (CID 55808091) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide.

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide is Cc1c(C(C)NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)oc2ccccc12.

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?

The InChIKey is ZMRNEKASBXJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-13(2)20(26-23(28)17-10-5-6-11-18(17)24(26)29)22(27)25-15(4)21-14(3)16-9-7-8-12-19(16)30-21/h5-13,15,20H,1-4H3,(H,25,27).

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide has a molecular weight of 404.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 55808091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).