4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide

C13H19N3O2 — CID 106095391

IUPAC4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C13H19N3O2/c1-8-6-9(14)4-5-10(8)12(18)16-13(2,3)7-11(15)17/h4-6H,7,14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyQGBBGBYXNWYMDE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds4

About 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide (PubChem CID 106095391) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
PubChem CID106095391
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C13H19N3O2/c1-8-6-9(14)4-5-10(8)12(18)16-13(2,3)7-11(15)17/h4-6H,7,14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyQGBBGBYXNWYMDE-UHFFFAOYSA-N
XLogP0.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
CID 106095375
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-nitrobenzamide
CID 106098370
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide (CID 106095391) is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide is Cc1cc(N)ccc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide?
The InChIKey is QGBBGBYXNWYMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-9(14)4-5-10(8)12(18)16-13(2,3)7-11(15)17/h4-6H,7,14H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide?
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 106095391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).