N,N'-bis[(Z)-1-phenylethylideneamino]oxamide

C18H18N4O2 — CID 5337725

IUPACN,N'-bis[(Z)-1-phenylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)N/N=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-13(15-9-5-3-6-10-15)19-21-17(23)18(24)22-20-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,23)(H,22,24)/b19-13-,20-14-
InChIKeyWZTXYSAPKCVHNM-AXPXABNXSA-N
MW322.37 g/mol
LogP2.07
Rot. Bonds4

About N,N'-bis[(Z)-1-phenylethylideneamino]oxamide

N,N'-bis[(Z)-1-phenylethylideneamino]oxamide (PubChem CID 5337725) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N,N'-bis[(Z)-1-phenylethylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-1-phenylethylideneamino]oxamide
PubChem CID5337725
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN,N'-bis[(Z)-1-phenylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)N/N=C(/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-13(15-9-5-3-6-10-15)19-21-17(23)18(24)22-20-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,23)(H,22,24)/b19-13-,20-14-
InChIKeyWZTXYSAPKCVHNM-AXPXABNXSA-N
XLogP2.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.07
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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Related Compounds

Ethanedioic acid, 1,2-bis[2-(phenylmethylene)hydrazide]
CID 6861531
3-Phenyl-6-pyridazone
CID 75106
2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 9640758
Ethanedioic acid, bis((phenylmethylene)hydrazide)
CID 96146
N,N'-bis[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 243462
2-chloro-N'-(diphenylmethylene)propanohydrazide
CID 319826
N'-(4-phenylcyclohexylidene)acetohydrazide
CID 5154466
[(1,8-Diphenyl-8-semicarbazono-octylidene)amino]urea
CID 5911104
N'~1~,N'~7~-bis(1-methyl-2-phenylethylidene)heptanedihydrazide
CID 5999832
3-phenyl-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 9590714
N'-(Diphenylmethylidene)acetohydrazide
CID 319836

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-1-phenylethylideneamino]oxamide?
The IUPAC name of N,N'-bis[(Z)-1-phenylethylideneamino]oxamide (CID 5337725) is N,N'-bis[(Z)-1-phenylethylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-1-phenylethylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-1-phenylethylideneamino]oxamide is C/C(=N/NC(=O)C(=O)N/N=C(/C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-1-phenylethylideneamino]oxamide?
The InChIKey is WZTXYSAPKCVHNM-AXPXABNXSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(15-9-5-3-6-10-15)19-21-17(23)18(24)22-20-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,23)(H,22,24)/b19-13-,20-14-.
What are the key properties of N,N'-bis[(Z)-1-phenylethylideneamino]oxamide?
N,N'-bis[(Z)-1-phenylethylideneamino]oxamide has a molecular weight of 322.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-1-phenylethylideneamino]oxamide is sourced from PubChem (CID 5337725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).