ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate

C20H21NO5 — CID 55615254

IUPACethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C20H21NO5/c1-2-24-20(23)13-26-17-5-3-4-16(12-17)21-19(22)11-14-6-7-18-15(10-14)8-9-25-18/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22)
InChIKeyQGRFPLISOALIIX-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.74
Rot. Bonds7

About ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate

ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate (PubChem CID 55615254) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate
PubChem CID55615254
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C20H21NO5/c1-2-24-20(23)13-26-17-5-3-4-16(12-17)21-19(22)11-14-6-7-18-15(10-14)8-9-25-18/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22)
InChIKeyQGRFPLISOALIIX-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18155389
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
CID 51337859
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate (CID 55615254) is ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate?
The InChIKey is QGRFPLISOALIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-24-20(23)13-26-17-5-3-4-16(12-17)21-19(22)11-14-6-7-18-15(10-14)8-9-25-18/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate?
ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate has a molecular weight of 355.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 55615254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).