2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate

C19H16NO6- — CID 18351719

IUPAC2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c(CNC(=O)COc3ccccc3)coc12
InChIInChI=1S/C19H17NO6/c21-17(11-24-14-5-2-1-3-6-14)20-9-13-10-26-19-15(13)7-4-8-16(19)25-12-18(22)23/h1-8,10H,9,11-12H2,(H,20,21)(H,22,23)/p-1
InChIKeyPDVGDXSDPAJZEL-UHFFFAOYSA-M
MW354.34 g/mol
LogP1.26
Rot. Bonds8

About 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate

2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate (PubChem CID 18351719) has the molecular formula C19H16NO6- and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
PubChem CID18351719
Molecular FormulaC19H16NO6-
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c(CNC(=O)COc3ccccc3)coc12
InChIInChI=1S/C19H17NO6/c21-17(11-24-14-5-2-1-3-6-14)20-9-13-10-26-19-15(13)7-4-8-16(19)25-12-18(22)23/h1-8,10H,9,11-12H2,(H,20,21)(H,22,23)/p-1
InChIKeyPDVGDXSDPAJZEL-UHFFFAOYSA-M
XLogP1.26
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[2-(3,3-diphenylpropoxy)ethyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351568
2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351770
2-[[3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351575
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
2-[[3-[(5-phenylpentylsulfonylamino)methyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15908540
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
methyl 2-[[3-(3-benzhydrylsulfanylpropyl)-1-benzofuran-7-yl]oxy]acetate
CID 11190054
2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 18351667
2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15463516
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate?
The IUPAC name of 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate (CID 18351719) is 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate.
What is the SMILES notation for 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate?
The canonical SMILES for 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate is O=C([O-])COc1cccc2c(CNC(=O)COc3ccccc3)coc12.
What is the InChIKey of 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate?
The InChIKey is PDVGDXSDPAJZEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO6/c21-17(11-24-14-5-2-1-3-6-14)20-9-13-10-26-19-15(13)7-4-8-16(19)25-12-18(22)23/h1-8,10H,9,11-12H2,(H,20,21)(H,22,23)/p-1.
What are the key properties of 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate?
2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate has a molecular weight of 354.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate is sourced from PubChem (CID 18351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).