2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide

C18H16N4O5 — CID 5430472

IUPAC2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide
SMILESC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccco2)o1)c1ccco1
InChIInChI=1S/C18H16N4O5/c1-11(13-5-3-9-25-13)19-21-17(23)15-7-8-16(27-15)18(24)22-20-12(2)14-6-4-10-26-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-11+,20-12+
InChIKeyNXIIFFNOFFTBRV-AYKLPDECSA-N
MW368.35 g/mol
LogP2.77
Rot. Bonds6

About 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide (PubChem CID 5430472) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide
PubChem CID5430472
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide
SMILESC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccco2)o1)c1ccco1
InChIInChI=1S/C18H16N4O5/c1-11(13-5-3-9-25-13)19-21-17(23)15-7-8-16(27-15)18(24)22-20-12(2)14-6-4-10-26-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-11+,20-12+
InChIKeyNXIIFFNOFFTBRV-AYKLPDECSA-N
XLogP2.77
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'''-Ethanediylidenebis(2-furohydrazide)
CID 6898804
5-bromo-N'-[1-(5-methyl-2-furyl)ethylidene]-2-furohydrazide
CID 5416348
N'~2~,N'~5~-bis(2-furylmethylene)-2,5-furandicarbohydrazide
CID 6874196
Propyl 2-(2-furoylhydrazono)propanoate
CID 6183681
2-Furancarboxylic acid, 2-(1-methylethylidene)hydrazide
CID 468643
N-[(E)-furan-2-ylmethylideneamino]furan-2-carboxamide
CID 6869165
N',N''-1,5-pentanediylidenedi(2-furohydrazide)
CID 9584860
N'-[(1E)-1-(5-methylfuran-2-yl)ethylidene]furan-2-carbohydrazide
CID 5334069
N'-[(E)-(5-methylfuran-2-yl)methylidene]furan-2-carbohydrazide
CID 5337563
2-Acetylfuran-2-furoylhydrazone
CID 668439
5-bromo-N-[1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
CID 902920
N'-[1-(2-furyl)methylidene]-2-furohydrazide
CID 668436

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide (CID 5430472) is 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide is C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccco2)o1)c1ccco1.
What is the InChIKey of 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide?
The InChIKey is NXIIFFNOFFTBRV-AYKLPDECSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11(13-5-3-9-25-13)19-21-17(23)15-7-8-16(27-15)18(24)22-20-12(2)14-6-4-10-26-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-11+,20-12+.
What are the key properties of 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide has a molecular weight of 368.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(E)-1-(furan-2-yl)ethylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 5430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).