N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide

C16H14N4O6 — CID 5041852

IUPACN,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc(O)c1O)C(=O)NN=Cc1cccc(O)c1O
InChIInChI=1S/C16H14N4O6/c21-11-5-1-3-9(13(11)23)7-17-19-15(25)16(26)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)
InChIKeyDYQXVZSFENWRFS-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.11
Rot. Bonds4

About N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide

N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide (PubChem CID 5041852) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
PubChem CID5041852
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC NameN,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc(O)c1O)C(=O)NN=Cc1cccc(O)c1O
InChIInChI=1S/C16H14N4O6/c21-11-5-1-3-9(13(11)23)7-17-19-15(25)16(26)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)
InChIKeyDYQXVZSFENWRFS-UHFFFAOYSA-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
CID 137255353
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
3-[(2,3-dihydroxyphenyl)methylideneamino]-1,1-dimethylthiourea
CID 135925130
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide (CID 5041852) is N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide is O=C(NN=Cc1cccc(O)c1O)C(=O)NN=Cc1cccc(O)c1O.
What is the InChIKey of N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide?
The InChIKey is DYQXVZSFENWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c21-11-5-1-3-9(13(11)23)7-17-19-15(25)16(26)20-18-8-10-4-2-6-12(22)14(10)24/h1-8,21-24H,(H,19,25)(H,20,26).
What are the key properties of N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(2,3-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[(2,3-dihydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5041852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).