N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide

C17H18N2O3 — CID 167531222

IUPACN-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nn3c(C)ccc3C)c2c1
InChIInChI=1S/C17H18N2O3/c1-11-4-5-12(2)19(11)18-17(20)8-13-10-22-16-7-6-14(21-3)9-15(13)16/h4-7,9-10H,8H2,1-3H3,(H,18,20)
InChIKeyVTGGCVBHBJSANB-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.17
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide

N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 167531222) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID167531222
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2occ(CC(=O)Nn3c(C)ccc3C)c2c1
InChIInChI=1S/C17H18N2O3/c1-11-4-5-12(2)19(11)18-17(20)8-13-10-22-16-7-6-14(21-3)9-15(13)16/h4-7,9-10H,8H2,1-3H3,(H,18,20)
InChIKeyVTGGCVBHBJSANB-UHFFFAOYSA-N
XLogP3.17
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
3-(5-methoxy-1-benzofuran-3-yl)propanoate
CID 6921490
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
diethyl 5-[[2-(5-methoxy-1-benzofuran-3-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 18860820
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
CID 18860274

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide (CID 167531222) is N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2occ(CC(=O)Nn3c(C)ccc3C)c2c1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is VTGGCVBHBJSANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-4-5-12(2)19(11)18-17(20)8-13-10-22-16-7-6-14(21-3)9-15(13)16/h4-7,9-10H,8H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide?
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 167531222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).