[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

C23H19NO5 — CID 8525646

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H19NO5/c1-27-18-9-7-17(8-10-18)24-21(25)14-29-22(26)12-16-13-28-20-11-6-15-4-2-3-5-19(15)23(16)20/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyIQWMDQKMTGLVCN-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.32
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 8525646) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID8525646
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H19NO5/c1-27-18-9-7-17(8-10-18)24-21(25)14-29-22(26)12-16-13-28-20-11-6-15-4-2-3-5-19(15)23(16)20/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyIQWMDQKMTGLVCN-UHFFFAOYSA-N
XLogP4.32
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737731
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 8525646) is [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is COc1ccc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is IQWMDQKMTGLVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-27-18-9-7-17(8-10-18)24-21(25)14-29-22(26)12-16-13-28-20-11-6-15-4-2-3-5-19(15)23(16)20/h2-11,13H,12,14H2,1H3,(H,24,25).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 389.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 8525646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).