N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide

C30H26N4O4 — CID 132833444

IUPACN,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
SMILESO=C(N/N=C(\c1ccccc1)C(O)c1ccccc1)C(=O)N/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C30H26N4O4/c35-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)31-33-29(37)30(38)34-32-26(22-15-7-2-8-16-22)28(36)24-19-11-4-12-20-24/h1-20,27-28,35-36H,(H,33,37)(H,34,38)/b31-25+,32-26+
InChIKeyXNVGDBHZVAAMLO-YESHOFFLSA-N
MW506.56 g/mol
LogP3.49
Rot. Bonds8

About N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide

N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide (PubChem CID 132833444) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
PubChem CID132833444
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC NameN,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
SMILESO=C(N/N=C(\c1ccccc1)C(O)c1ccccc1)C(=O)N/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C30H26N4O4/c35-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)31-33-29(37)30(38)34-32-26(22-15-7-2-8-16-22)28(36)24-19-11-4-12-20-24/h1-20,27-28,35-36H,(H,33,37)(H,34,38)/b31-25+,32-26+
InChIKeyXNVGDBHZVAAMLO-YESHOFFLSA-N
XLogP3.49
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

(1R,2Z)-2-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanol
CID 7340294
ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
CID 139609028
[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
CID 6371713
2-hydroxy-1,2-diphenylethanone
CID 159399559
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide (CID 132833444) is N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide is O=C(N/N=C(\c1ccccc1)C(O)c1ccccc1)C(=O)N/N=C(\c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide?
The InChIKey is XNVGDBHZVAAMLO-YESHOFFLSA-N. The full InChI is InChI=1S/C30H26N4O4/c35-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)31-33-29(37)30(38)34-32-26(22-15-7-2-8-16-22)28(36)24-19-11-4-12-20-24/h1-20,27-28,35-36H,(H,33,37)(H,34,38)/b31-25+,32-26+.
What are the key properties of N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide?
N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide has a molecular weight of 506.56 g/mol, XLogP of 3.49, 8 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-hydroxy-1,2-diphenylethylidene)amino]oxamide is sourced from PubChem (CID 132833444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).