2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide

C17H19N3O2 — CID 7613256

IUPAC2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CO/N=C(/N)c2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)19-16(21)11-22-20-17(18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyWBDVYBHMJNNLQF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds5

About 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7613256) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
PubChem CID7613256
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CO/N=C(/N)c2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)19-16(21)11-22-20-17(18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyWBDVYBHMJNNLQF-UHFFFAOYSA-N
XLogP2.58
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-fluoro-4-methylphenyl)acetamide
CID 24605187
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 18228701
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18229188
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
CID 9372104
ethyl 2-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 74267714
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
CID 16544849
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60524992
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide (CID 7613256) is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CO/N=C(/N)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is WBDVYBHMJNNLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-8-13(2)10-15(9-12)19-16(21)11-22-20-17(18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide?
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7613256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).