ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate

C19H17NO5 — CID 10854547

IUPACethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2c(N)c(C(=O)c3ccccc3)oc12
InChIInChI=1S/C19H17NO5/c1-2-23-15(21)11-24-14-10-6-9-13-16(20)19(25-18(13)14)17(22)12-7-4-3-5-8-12/h3-10H,2,11,20H2,1H3
InChIKeyAODAUEOBAXFWMI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate

ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate (PubChem CID 10854547) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate
PubChem CID10854547
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2c(N)c(C(=O)c3ccccc3)oc12
InChIInChI=1S/C19H17NO5/c1-2-23-15(21)11-24-14-10-6-9-13-16(20)19(25-18(13)14)17(22)12-7-4-3-5-8-12/h3-10H,2,11,20H2,1H3
InChIKeyAODAUEOBAXFWMI-UHFFFAOYSA-N
XLogP3.19
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
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ethyl 2-(3-amino-2-fluorophenoxy)acetate
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ethyl 2-[2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]acetate
CID 139087208
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
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ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate (CID 10854547) is ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate is CCOC(=O)COc1cccc2c(N)c(C(=O)c3ccccc3)oc12.
What is the InChIKey of ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate?
The InChIKey is AODAUEOBAXFWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-2-23-15(21)11-24-14-10-6-9-13-16(20)19(25-18(13)14)17(22)12-7-4-3-5-8-12/h3-10H,2,11,20H2,1H3.
What are the key properties of ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate?
ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate has a molecular weight of 339.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-benzoyl-1-benzofuran-7-yl)oxy]acetate is sourced from PubChem (CID 10854547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).