ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

C19H17NO5 — CID 680129

IUPACethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(N)=O)cc12
InChIInChI=1S/C19H17NO5/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,20,21)
InChIKeyPBAAFVQBRSHHSR-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.14
Rot. Bonds6

About ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate (PubChem CID 680129) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
PubChem CID680129
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(N)=O)cc12
InChIInChI=1S/C19H17NO5/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,20,21)
InChIKeyPBAAFVQBRSHHSR-UHFFFAOYSA-N
XLogP3.14
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
Ketone, 3-benzoylbenzofuran-5-yl hydroperoxymethyl
CID 755496
Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 624750
Bis(5-acetoxybenzo[b]furan-2-yl)methanone
CID 13471348
2-Methyl-5-[(2-methylphenyl)methoxy]-1-benzofuran-3-carboxylic acid
CID 702034
5-[(2-Fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 708273
Ethyl 5-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 803446
Ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11964452
Methyl 2-(4-methoxyphenyl)benzofuran-3-carboxylate
CID 24818787
Benzofuran, 5-(hydroperoxyacetyl)-3-(p-toluoyl)-
CID 755497
3-(Isopropoxycarbonyl)-2-methylbenzofuran-5-yl morpholine-4-carboxylate
CID 708278
Ethyl 5-(2-amino-2-oxoethoxy)-6-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 979445

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate (CID 680129) is ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(N)=O)cc12.
What is the InChIKey of ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
The InChIKey is PBAAFVQBRSHHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-2-23-19(22)17-14-10-13(24-11-16(20)21)8-9-15(14)25-18(17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,20,21).
What are the key properties of ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate?
ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 680129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).