3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide

C13H19N3O2 — CID 103809503

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,12(15)18)8-16-11(17)7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZUWXLLDUYBGUEB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.44
Rot. Bonds5

About 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide

3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide (PubChem CID 103809503) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
PubChem CID103809503
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,12(15)18)8-16-11(17)7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyZUWXLLDUYBGUEB-UHFFFAOYSA-N
XLogP0.44
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
[1-[[2-(4-aminophenyl)acetyl]amino]-2-methylpropan-2-yl] acetate
CID 174637414
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
3-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]amino]-2,2-dimethylpropanamide
CID 106274603
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide (CID 103809503) is 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)Cc1ccc(N)cc1)C(N)=O.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide?
The InChIKey is ZUWXLLDUYBGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,12(15)18)8-16-11(17)7-9-3-5-10(14)6-4-9/h3-6H,7-8,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide?
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103809503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).