ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate

C20H16N2O5 — CID 67673656

IUPACethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)c2occ3cc(C#N)ccc23)cc1
InChIInChI=1S/C20H16N2O5/c1-2-25-18(23)12-26-16-6-4-15(5-7-16)22-20(24)19-17-8-3-13(10-21)9-14(17)11-27-19/h3-9,11H,2,12H2,1H3,(H,22,24)
InChIKeyYDXOOPUBTBSPHB-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.50
Rot. Bonds6

About ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate

ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate (PubChem CID 67673656) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
PubChem CID67673656
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)c2occ3cc(C#N)ccc23)cc1
InChIInChI=1S/C20H16N2O5/c1-2-25-18(23)12-26-16-6-4-15(5-7-16)22-20(24)19-17-8-3-13(10-21)9-14(17)11-27-19/h3-9,11H,2,12H2,1H3,(H,22,24)
InChIKeyYDXOOPUBTBSPHB-UHFFFAOYSA-N
XLogP3.50
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
ethyl 2-[4-[(2,2,2-trichloroacetyl)amino]phenoxy]acetate
CID 2725562
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798
[1-(3-ethoxy-3-oxopropyl)piperidin-4-yl] 5-cyano-2-benzofuran-1-carboxylate
CID 57257960
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-cyanophenoxy)acetate
CID 2097462
tert-butyl 2-[4-[(6-carbamimidoyl-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
CID 67721890
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate (CID 67673656) is ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)c2occ3cc(C#N)ccc23)cc1.
What is the InChIKey of ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate?
The InChIKey is YDXOOPUBTBSPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-2-25-18(23)12-26-16-6-4-15(5-7-16)22-20(24)19-17-8-3-13(10-21)9-14(17)11-27-19/h3-9,11H,2,12H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate?
ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate has a molecular weight of 364.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(5-cyano-2-benzofuran-1-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 67673656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).