N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

C16H14N4O6 — CID 135576680

IUPACN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)/b17-7+,18-8+
InChIKeyIDNCTMMAWXJSJE-ZEELXFFVSA-N
MW358.31 g/mol
LogP0.11
Rot. Bonds4

About N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (PubChem CID 135576680) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
PubChem CID135576680
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC NameN,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)/b17-7+,18-8+
InChIKeyIDNCTMMAWXJSJE-ZEELXFFVSA-N
XLogP0.11
TPSA163.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.31
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
(2E)-2-benzylidene-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 136841941

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (CID 135576680) is N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The InChIKey is IDNCTMMAWXJSJE-ZEELXFFVSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)/b17-7+,18-8+.
What are the key properties of N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide has a molecular weight of 358.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135576680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).