2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide

C19H23N3O2 — CID 4842831

IUPAC2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CON=C(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)15-9-11-16(12-10-15)21-17(23)13-24-22-18(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBRNCQBUMUXZKMN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.26
Rot. Bonds5

About 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide

2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide (PubChem CID 4842831) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
PubChem CID4842831
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CON=C(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)15-9-11-16(12-10-15)21-17(23)13-24-22-18(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyBRNCQBUMUXZKMN-UHFFFAOYSA-N
XLogP3.26
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.26
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

N,N'-Diacetylbenzidine
CID 11942
N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 4095074
2-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
N-Hydroxy-N,N'-diacetylbenzidine
CID 51366
N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
CID 6013773
2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6892656
2-[2-(4-carbamimidoylanilino)-2-oxoethoxy]-N-(4-carbamimidoylphenyl)acetamide;dihydrochloride
CID 145992494
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 9649126
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9684391
US9421177, Vpc143129
CID 88866439
2-[(E)-(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6893119

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide (CID 4842831) is 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)CON=C(N)c2ccccc2)cc1.
What is the InChIKey of 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide?
The InChIKey is BRNCQBUMUXZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)15-9-11-16(12-10-15)21-17(23)13-24-22-18(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide?
2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 4842831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).