2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H17NO4 — CID 1281578

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H17NO4/c24-21(23-16-6-8-18-20(12-16)26-10-9-25-18)11-15-13-27-19-7-5-14-3-1-2-4-17(14)22(15)19/h1-8,12-13H,9-11H2,(H,23,24)
InChIKeyXJNFLZAEHGGWEJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.54
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 1281578) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID1281578
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H17NO4/c24-21(23-16-6-8-18-20(12-16)26-10-9-25-18)11-15-13-27-19-7-5-14-3-1-2-4-17(14)22(15)19/h1-8,12-13H,9-11H2,(H,23,24)
InChIKeyXJNFLZAEHGGWEJ-UHFFFAOYSA-N
XLogP4.54
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2641720

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 1281578) is 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is XJNFLZAEHGGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(23-16-6-8-18-20(12-16)26-10-9-25-18)11-15-13-27-19-7-5-14-3-1-2-4-17(14)22(15)19/h1-8,12-13H,9-11H2,(H,23,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 1281578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).