4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide

C25H24N2O3 — CID 34543248

IUPAC4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H24N2O3/c1-3-27(4-2)25(29)18-9-12-20(13-10-18)26-23(28)15-19-16-30-22-14-11-17-7-5-6-8-21(17)24(19)22/h5-14,16H,3-4,15H2,1-2H3,(H,26,28)
InChIKeyABRPOXFGXOVJNO-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.25
Rot. Bonds6

About 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide

4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide (PubChem CID 34543248) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
PubChem CID34543248
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C25H24N2O3/c1-3-27(4-2)25(29)18-9-12-20(13-10-18)26-23(28)15-19-16-30-22-14-11-17-7-5-6-8-21(17)24(19)22/h5-14,16H,3-4,15H2,1-2H3,(H,26,28)
InChIKeyABRPOXFGXOVJNO-UHFFFAOYSA-N
XLogP5.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 18860779
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
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-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
CID 9094777
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide (CID 34543248) is 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide?
The InChIKey is ABRPOXFGXOVJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-27(4-2)25(29)18-9-12-20(13-10-18)26-23(28)15-19-16-30-22-14-11-17-7-5-6-8-21(17)24(19)22/h5-14,16H,3-4,15H2,1-2H3,(H,26,28).
What are the key properties of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide?
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 34543248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).