N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C26H33N3O2 — CID 24635319

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 24635319) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• PubChem CID: 24635319
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• SMILES: Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12
• InChI: InChI=1S/C26H33N3O2/c1-17(2)22-15-23-20(16-31-25(23)13-18(22)3)14-26(30)27-24-7-6-21(12-19(24)4)29-10-8-28(5)9-11-29/h6-7,12-13,15-17H,8-11,14H2,1-5H3,(H,27,30)
• InChIKey: VPIQRHLNCKJJGA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 24635319) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12.

What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The InChIKey is VPIQRHLNCKJJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-17(2)22-15-23-20(16-31-25(23)13-18(22)3)14-26(30)27-24-7-6-21(12-19(24)4)29-10-8-28(5)9-11-29/h6-7,12-13,15-17H,8-11,14H2,1-5H3,(H,27,30).

What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 419.57 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 24635319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).