ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate

C14H15NO4 — CID 115142072

IUPACethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)13(16)15-8-7-10-9-19-12-6-4-3-5-11(10)12/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyOMBOHFGKWDGJMS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate

ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate (PubChem CID 115142072) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
PubChem CID115142072
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)13(16)15-8-7-10-9-19-12-6-4-3-5-11(10)12/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyOMBOHFGKWDGJMS-UHFFFAOYSA-N
XLogP1.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186726
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
diethyl 2-[(1-benzofuran-3-ylamino)methylidene]propanedioate
CID 10709539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate (CID 115142072) is ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1coc2ccccc12.
What is the InChIKey of ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate?
The InChIKey is OMBOHFGKWDGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(17)13(16)15-8-7-10-9-19-12-6-4-3-5-11(10)12/h3-6,9H,2,7-8H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate has a molecular weight of 261.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 115142072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).