N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide

C19H21N3O3 — CID 4095074

IUPACN-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)C=NOCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)21-18(23)11-20-25-12-19(24)22-17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGRPXDTMSXYAPQG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.19
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide

N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 4095074) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID4095074
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)C=NOCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)21-18(23)11-20-25-12-19(24)22-17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGRPXDTMSXYAPQG-UHFFFAOYSA-N
XLogP3.19
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
2-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
CID 4842831
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
N-(2,4-dimethylphenyl)-2-(hydroxyimino)acetamide
CID 9585147
2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6892656
N-(2-methylphenyl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxypropanamide
CID 9625192
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-methylacetamide
CID 6906923
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9684391
2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6893119
N-[(2-chlorophenyl)methyl]-2-[(E)-[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 6904538
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 6904547

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide (CID 4095074) is N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide is Cc1ccc(NC(=O)C=NOCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is GRPXDTMSXYAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)21-18(23)11-20-25-12-19(24)22-17-9-14(2)8-15(3)10-17/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 339.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 4095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).