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

C23H27N3O2 — CID 2534967

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)coc2c1
InChIInChI=1S/C23H27N3O2/c1-16-4-6-20-18(15-28-22(20)12-16)14-23(27)24-21-7-5-19(13-17(21)2)26-10-8-25(3)9-11-26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyFPXXSSMLWQMFBB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.98
Rot. Bonds4

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

2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2534967) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID2534967
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)coc2c1
InChIInChI=1S/C23H27N3O2/c1-16-4-6-20-18(15-28-22(20)12-16)14-23(27)24-21-7-5-19(13-17(21)2)26-10-8-25(3)9-11-26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,27)
InChIKeyFPXXSSMLWQMFBB-UHFFFAOYSA-N
XLogP3.98
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
5-Methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 52944379
5-Methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 52946835
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 2467896
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2546081
N-[4-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 783430
2-Benzofurancarboxamide, N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-
CID 11696813
2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
CID 44588778
3-methyl-N-[4-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 647689
N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1092654
1-[(6-Methyl-1-benzofuran-3-yl)acetyl]indoline
CID 2080542

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 2534967) is 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ccc2c(CC(=O)Nc3ccc(N4CCN(C)CC4)cc3C)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is FPXXSSMLWQMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-4-6-20-18(15-28-22(20)12-16)14-23(27)24-21-7-5-19(13-17(21)2)26-10-8-25(3)9-11-26/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,27).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2534967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).