methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate

C16H16N2O5 — CID 7585241

IUPACmethyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C16H16N2O5/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)14(19)17-9-8-13-3-2-10-23-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeySSDUXNNFBAHGJO-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.36
Rot. Bonds5

About methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate

methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate (PubChem CID 7585241) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
PubChem CID7585241
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C16H16N2O5/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)14(19)17-9-8-13-3-2-10-23-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeySSDUXNNFBAHGJO-UHFFFAOYSA-N
XLogP1.36
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
N-[2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 7584723
N'-(3-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584781
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
methyl 3-bromo-4-[[2-(furan-2-yl)ethylamino]methyl]benzoate
CID 102766549
methyl 4-[[[[2-(furan-2-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111860552

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate (CID 7585241) is methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)NCCc2ccco2)cc1.
What is the InChIKey of methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate?
The InChIKey is SSDUXNNFBAHGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-16(21)11-4-6-12(7-5-11)18-15(20)14(19)17-9-8-13-3-2-10-23-13/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate?
methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate has a molecular weight of 316.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(furan-2-yl)ethylamino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 7585241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).