ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate

C19H22N2O7 — CID 3186760

IUPACethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C19H22N2O7/c1-4-25-15-11-13(21-18(23)19(24)27-6-3)16(26-5-2)10-12(15)20-17(22)14-8-7-9-28-14/h7-11H,4-6H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJPGKLCDBWMMDTK-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.83
Rot. Bonds8

About ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate

ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate (PubChem CID 3186760) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
PubChem CID3186760
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Nameethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C19H22N2O7/c1-4-25-15-11-13(21-18(23)19(24)27-6-3)16(26-5-2)10-12(15)20-17(22)14-8-7-9-28-14/h7-11H,4-6H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJPGKLCDBWMMDTK-UHFFFAOYSA-N
XLogP2.83
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
CID 1138763
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylphenyl]furan-2-carboxamide
CID 135633736
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate (CID 3186760) is ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccco2)cc1OCC.
What is the InChIKey of ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate?
The InChIKey is JPGKLCDBWMMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-4-25-15-11-13(21-18(23)19(24)27-6-3)16(26-5-2)10-12(15)20-17(22)14-8-7-9-28-14/h7-11H,4-6H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate?
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate has a molecular weight of 390.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate is sourced from PubChem (CID 3186760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).