N,N'-bis[(E)-benzylideneamino]oxamide

C16H14N4O2 — CID 6861531

IUPACN,N'-bis[(E)-benzylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1)C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)/b17-11+,18-12+
InChIKeyGTIBACHAUHDNPH-JYFOCSDGSA-N
MW294.31 g/mol
LogP1.29
Rot. Bonds4

About N,N'-bis[(E)-benzylideneamino]oxamide

N,N'-bis[(E)-benzylideneamino]oxamide (PubChem CID 6861531) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N,N'-bis[(E)-benzylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-benzylideneamino]oxamide
PubChem CID6861531
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN,N'-bis[(E)-benzylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1)C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)/b17-11+,18-12+
InChIKeyGTIBACHAUHDNPH-JYFOCSDGSA-N
XLogP1.29
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-benzylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-benzylideneamino]oxamide (CID 6861531) is N,N'-bis[(E)-benzylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-benzylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-benzylideneamino]oxamide is O=C(N/N=C/c1ccccc1)C(=O)N/N=C/c1ccccc1.
What is the InChIKey of N,N'-bis[(E)-benzylideneamino]oxamide?
The InChIKey is GTIBACHAUHDNPH-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)/b17-11+,18-12+.
What are the key properties of N,N'-bis[(E)-benzylideneamino]oxamide?
N,N'-bis[(E)-benzylideneamino]oxamide has a molecular weight of 294.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-benzylideneamino]oxamide is sourced from PubChem (CID 6861531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).