N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

C23H18N4O3 — CID 19660375

IUPACN-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H18N4O3/c24-14-17-9-11-20(12-10-17)26-22(28)23(29)27-25-15-19-7-4-8-21(13-19)30-16-18-5-2-1-3-6-18/h1-13,15H,16H2,(H,26,28)(H,27,29)/b25-15+
InChIKeyUHUBJBOZOKMRLJ-MFKUBSTISA-N
MW398.42 g/mol
LogP3.23
Rot. Bonds6

About N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 19660375) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID19660375
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H18N4O3/c24-14-17-9-11-20(12-10-17)26-22(28)23(29)27-25-15-19-7-4-8-21(13-19)30-16-18-5-2-1-3-6-18/h1-13,15H,16H2,(H,26,28)(H,27,29)/b25-15+
InChIKeyUHUBJBOZOKMRLJ-MFKUBSTISA-N
XLogP3.23
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759
methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 133240898
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
CID 19661465
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (CID 19660375) is N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is N#Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is UHUBJBOZOKMRLJ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18N4O3/c24-14-17-9-11-20(12-10-17)26-22(28)23(29)27-25-15-19-7-4-8-21(13-19)30-16-18-5-2-1-3-6-18/h1-13,15H,16H2,(H,26,28)(H,27,29)/b25-15+.
What are the key properties of N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 398.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 19660375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).