[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

C23H23NO5 — CID 8525426

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2coc3cc(CC)ccc23)cc1
InChIInChI=1S/C23H23NO5/c1-3-15-5-10-19-17(13-28-21(19)11-15)12-23(27)29-14-20(25)16-6-8-18(9-7-16)24-22(26)4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,26)
InChIKeyKBWFQBMLGMTEJB-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.31
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8525426) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8525426
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2coc3cc(CC)ccc23)cc1
InChIInChI=1S/C23H23NO5/c1-3-15-5-10-19-17(13-28-21(19)11-15)12-23(27)29-14-20(25)16-6-8-18(9-7-16)24-22(26)4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,26)
InChIKeyKBWFQBMLGMTEJB-UHFFFAOYSA-N
XLogP4.31
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525379
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846121
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807020
[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525492
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525548
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8525426) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)Cc2coc3cc(CC)ccc23)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is KBWFQBMLGMTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-15-5-10-19-17(13-28-21(19)11-15)12-23(27)29-14-20(25)16-6-8-18(9-7-16)24-22(26)4-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 393.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).