2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C21H22N2O3 — CID 8011717

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccccc3N3CCCC3)coc2c1
InChIInChI=1S/C21H22N2O3/c1-25-16-8-9-17-15(14-26-20(17)13-16)12-21(24)22-18-6-2-3-7-19(18)23-10-4-5-11-23/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,24)
InChIKeyNETZWHQJWUNLPE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.22
Rot. Bonds5

About 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 8011717) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID8011717
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccccc3N3CCCC3)coc2c1
InChIInChI=1S/C21H22N2O3/c1-25-16-8-9-17-15(14-26-20(17)13-16)12-21(24)22-18-6-2-3-7-19(18)23-10-4-5-11-23/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,24)
InChIKeyNETZWHQJWUNLPE-UHFFFAOYSA-N
XLogP4.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2572355
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26065721
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 78781674
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 26686594
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 55462664
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 8011717) is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is COc1ccc2c(CC(=O)Nc3ccccc3N3CCCC3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NETZWHQJWUNLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-16-8-9-17-15(14-26-20(17)13-16)12-21(24)22-18-6-2-3-7-19(18)23-10-4-5-11-23/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,24).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 8011717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).