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

C16H14N4O4 — CID 135576411

IUPACN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKeyPUMOTLVCXKMSQH-BEQMOXJMSA-N
MW326.31 g/mol
LogP0.70
Rot. Bonds4

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

N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135576411) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135576411
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKeyPUMOTLVCXKMSQH-BEQMOXJMSA-N
XLogP0.70
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135576411) is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is PUMOTLVCXKMSQH-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+.
What are the key properties of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 326.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135576411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).