2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide

C22H19NO4 — CID 1285221

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1
InChIInChI=1S/C22H19NO4/c1-25-16-8-10-19(26-2)18(12-16)23-21(24)11-15-13-27-20-9-7-14-5-3-4-6-17(14)22(15)20/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyCAKDFQMNXAFLGZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.78
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1285221) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1285221
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1
InChIInChI=1S/C22H19NO4/c1-25-16-8-10-19(26-2)18(12-16)23-21(24)11-15-13-27-20-9-7-14-5-3-4-6-17(14)22(15)20/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyCAKDFQMNXAFLGZ-UHFFFAOYSA-N
XLogP4.78
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide (CID 1285221) is 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is CAKDFQMNXAFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-16-8-10-19(26-2)18(12-16)23-21(24)11-15-13-27-20-9-7-14-5-3-4-6-17(14)22(15)20/h3-10,12-13H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 4.78, 5 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-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1285221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).