[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C24H21NO6 — CID 8525666

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1OC
InChIInChI=1S/C24H21NO6/c1-28-19-10-8-17(12-21(19)29-2)25-22(26)14-31-23(27)11-16-13-30-20-9-7-15-5-3-4-6-18(15)24(16)20/h3-10,12-13H,11,14H2,1-2H3,(H,25,26)
InChIKeyJNSOOYVBXIOGQS-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.33
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 8525666) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID8525666
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1OC
InChIInChI=1S/C24H21NO6/c1-28-19-10-8-17(12-21(19)29-2)25-22(26)14-31-23(27)11-16-13-30-20-9-7-15-5-3-4-6-18(15)24(16)20/h3-10,12-13H,11,14H2,1-2H3,(H,25,26)
InChIKeyJNSOOYVBXIOGQS-UHFFFAOYSA-N
XLogP4.33
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737731
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 8525666) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is COc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is JNSOOYVBXIOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-28-19-10-8-17(12-21(19)29-2)25-22(26)14-31-23(27)11-16-13-30-20-9-7-15-5-3-4-6-18(15)24(16)20/h3-10,12-13H,11,14H2,1-2H3,(H,25,26).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 419.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 8525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).