2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide

C16H25N3O2 — CID 103598805

IUPAC2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CON=C(N)CC(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-10(2)6-14(17)19-21-9-15(20)18-16-12(4)7-11(3)8-13(16)5/h7-8,10H,6,9H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyORZMMNPGJLMHQY-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide

2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 103598805) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID103598805
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CON=C(N)CC(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-10(2)6-14(17)19-21-9-15(20)18-16-12(4)7-11(3)8-13(16)5/h7-8,10H,6,9H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyORZMMNPGJLMHQY-UHFFFAOYSA-N
XLogP2.89
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.89
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'}

Analyze 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
CID 75264209
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
CID 67992232
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
3-cyano-N-(2,4,6-trimethylphenyl)butanamide
CID 82115707
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954932
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] cyclohexanecarboxylate
CID 2430456

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide (CID 103598805) is 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CON=C(N)CC(C)C)c(C)c1.
What is the InChIKey of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ORZMMNPGJLMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)6-14(17)19-21-9-15(20)18-16-12(4)7-11(3)8-13(16)5/h7-8,10H,6,9H2,1-5H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylbutylidene)amino]oxy-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 103598805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).