[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C20H19NO5 — CID 8525277

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H19NO5/c1-13-3-8-17-14(11-25-18(17)9-13)10-20(23)26-12-19(22)21-15-4-6-16(24-2)7-5-15/h3-9,11H,10,12H2,1-2H3,(H,21,22)
InChIKeyAYCHRDCVUJSUMU-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.47
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 8525277) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID8525277
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H19NO5/c1-13-3-8-17-14(11-25-18(17)9-13)10-20(23)26-12-19(22)21-15-4-6-16(24-2)7-5-15/h3-9,11H,10,12H2,1-2H3,(H,21,22)
InChIKeyAYCHRDCVUJSUMU-UHFFFAOYSA-N
XLogP3.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902191
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872216
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 24518726
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252001
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 8525277) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is COc1ccc(NC(=O)COC(=O)Cc2coc3cc(C)ccc23)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is AYCHRDCVUJSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-3-8-17-14(11-25-18(17)9-13)10-20(23)26-12-19(22)21-15-4-6-16(24-2)7-5-15/h3-9,11H,10,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 353.37 g/mol, XLogP of 3.47, 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-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).