2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide

C22H20N4O3 — CID 7664217

IUPAC2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
SMILESCOc1ccccc1/C=N\OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c1-28-21-10-6-5-7-17(21)15-23-29-16-22(27)24-18-11-13-20(14-12-18)26-25-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,24,27)/b23-15-,26-25+
InChIKeyKGFNNJWQJAFDHE-GTZNUUOLSA-N
MW388.43 g/mol
LogP5.10
Rot. Bonds8

About 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide

2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 7664217) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID7664217
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
SMILESCOc1ccccc1/C=N\OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c1-28-21-10-6-5-7-17(21)15-23-29-16-22(27)24-18-11-13-20(14-12-18)26-25-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,24,27)/b23-15-,26-25+
InChIKeyKGFNNJWQJAFDHE-GTZNUUOLSA-N
XLogP5.10
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663932
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7664016
N-(4-acetylphenyl)-2-[(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 2530880
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3948136
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043
2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide (CID 7664217) is 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide is COc1ccccc1/C=N\OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is KGFNNJWQJAFDHE-GTZNUUOLSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-21-10-6-5-7-17(21)15-23-29-16-22(27)24-18-11-13-20(14-12-18)26-25-19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,24,27)/b23-15-,26-25+.
What are the key properties of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide?
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 7664217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).