2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide

C22H22N2O4 — CID 20926232

IUPAC2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)N3CCCC3)oc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-8-15(9-11-16)14-19(25)23-20-17-6-2-3-7-18(17)28-21(20)22(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,25)
InChIKeyCUNUHKAPMRTGIF-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide

2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 20926232) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID20926232
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)N3CCCC3)oc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c1-27-16-10-8-15(9-11-16)14-19(25)23-20-17-6-2-3-7-18(17)28-21(20)22(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,25)
InChIKeyCUNUHKAPMRTGIF-UHFFFAOYSA-N
XLogP3.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
2-(3,4-dimethoxyphenyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511090

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide (CID 20926232) is 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide is COc1ccc(CC(=O)Nc2c(C(=O)N3CCCC3)oc3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is CUNUHKAPMRTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-16-10-8-15(9-11-16)14-19(25)23-20-17-6-2-3-7-18(17)28-21(20)22(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 20926232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).