(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C18H15NO5 — CID 7807183

IUPAC(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(COC(=O)Cc1coc2cc(O)ccc12)Nc1ccccc1
InChIInChI=1S/C18H15NO5/c20-14-6-7-15-12(10-23-16(15)9-14)8-18(22)24-11-17(21)19-13-4-2-1-3-5-13/h1-7,9-10,20H,8,11H2,(H,19,21)
InChIKeyNUELYSRQTYQMGV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.86
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate

(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7807183) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7807183
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(COC(=O)Cc1coc2cc(O)ccc12)Nc1ccccc1
InChIInChI=1S/C18H15NO5/c20-14-6-7-15-12(10-23-16(15)9-14)8-18(22)24-11-17(21)19-13-4-2-1-3-5-13/h1-7,9-10,20H,8,11H2,(H,19,21)
InChIKeyNUELYSRQTYQMGV-UHFFFAOYSA-N
XLogP2.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415410
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415387
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807217
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414762
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807088
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807043
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7807183) is (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(COC(=O)Cc1coc2cc(O)ccc12)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is NUELYSRQTYQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-14-6-7-15-12(10-23-16(15)9-14)8-18(22)24-11-17(21)19-13-4-2-1-3-5-13/h1-7,9-10,20H,8,11H2,(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 325.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7807183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).