ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate

C19H17NO5 — CID 10664799

IUPACethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C19H17NO5/c1-2-23-16(21)11-24-13-9-7-12(8-10-13)18(22)19-17(20)14-5-3-4-6-15(14)25-19/h3-10H,2,11,20H2,1H3
InChIKeyMGGYHCKHJAPCEN-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate

ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate (PubChem CID 10664799) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate
PubChem CID10664799
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C19H17NO5/c1-2-23-16(21)11-24-13-9-7-12(8-10-13)18(22)19-17(20)14-5-3-4-6-15(14)25-19/h3-10H,2,11,20H2,1H3
InChIKeyMGGYHCKHJAPCEN-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate (CID 10664799) is ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)c2oc3ccccc3c2N)cc1.
What is the InChIKey of ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate?
The InChIKey is MGGYHCKHJAPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-2-23-16(21)11-24-13-9-7-12(8-10-13)18(22)19-17(20)14-5-3-4-6-15(14)25-19/h3-10H,2,11,20H2,1H3.
What are the key properties of ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate?
ethyl 2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]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-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetate is sourced from PubChem (CID 10664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).