2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide

C17H18N2O2 — CID 7643871

IUPAC2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CO/N=C\c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13-8-14(2)10-16(9-13)19-17(20)12-21-18-11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20)/b18-11-
InChIKeyLEOILJHFHZMBBA-WQRHYEAKSA-N
MW282.34 g/mol
LogP3.29
Rot. Bonds5

About 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide

2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7643871) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
PubChem CID7643871
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CO/N=C\c2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-13-8-14(2)10-16(9-13)19-17(20)12-21-18-11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20)/b18-11-
InChIKeyLEOILJHFHZMBBA-WQRHYEAKSA-N
XLogP3.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-[2-(3,5-dimethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 51142359
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
CID 7643958
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
[2-(3,5-dimethylanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509209
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643751
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide (CID 7643871) is 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CO/N=C\c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is LEOILJHFHZMBBA-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-8-14(2)10-16(9-13)19-17(20)12-21-18-11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20)/b18-11-.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide?
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7643871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).