methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate

C20H17NO7 — CID 7807198

IUPACmethyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1
InChIInChI=1S/C20H17NO7/c1-26-20(25)12-2-4-14(5-3-12)21-18(23)11-28-19(24)8-13-10-27-17-9-15(22)6-7-16(13)17/h2-7,9-10,22H,8,11H2,1H3,(H,21,23)
InChIKeyVKDIPTWLHBWFMV-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.65
Rot. Bonds6

About methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7807198) has the molecular formula C20H17NO7 and a molecular weight of 383.36 g/mol. Its IUPAC name is methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7807198
Molecular FormulaC20H17NO7
Molecular Weight383.36 g/mol
Exact Mass383.10
IUPAC Namemethyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1
InChIInChI=1S/C20H17NO7/c1-26-20(25)12-2-4-14(5-3-12)21-18(23)11-28-19(24)8-13-10-27-17-9-15(22)6-7-16(13)17/h2-7,9-10,22H,8,11H2,1H3,(H,21,23)
InChIKeyVKDIPTWLHBWFMV-UHFFFAOYSA-N
XLogP2.65
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-(4-fluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415410
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807217
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415387
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate (CID 7807198) is methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1.
What is the InChIKey of methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is VKDIPTWLHBWFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO7/c1-26-20(25)12-2-4-14(5-3-12)21-18(23)11-28-19(24)8-13-10-27-17-9-15(22)6-7-16(13)17/h2-7,9-10,22H,8,11H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 383.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7807198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).