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

C16H14N4O4 — CID 135458650

IUPACN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O4/c21-13-5-1-11(2-6-13)9-17-19-15(23)16(24)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKeySVRIGJRNCBDGDB-BEQMOXJMSA-N
MW326.31 g/mol
LogP0.70
Rot. Bonds4

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

N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135458650) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135458650
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O4/c21-13-5-1-11(2-6-13)9-17-19-15(23)16(24)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKeySVRIGJRNCBDGDB-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_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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
1,3-bis[(E)-(3-hydroxyphenyl)methylideneamino]urea
CID 9584598
N'',N'''-Bis[(E)-1-(3,4-dihydroxyphenyl)methylidene]carbonic dihydrazide
CID 135420153
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
1,5-Bis(salicylidene)carbohydrazide
CID 96015
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
CID 135460538
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
CID 135603302

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide (CID 135458650) is N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is SVRIGJRNCBDGDB-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-13-5-1-11(2-6-13)9-17-19-15(23)16(24)20-18-10-12-3-7-14(22)8-4-12/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+.
What are the key properties of N,N'-bis[(E)-(4-hydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135458650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).