4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide

C12H18N4O2 — CID 106095687

IUPAC4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,6-10(14)17)16-9-5-7(13)3-4-8(9)11(15)18/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyBBWVUOBZHVWEMO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.43
Rot. Bonds5

About 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide

4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide (PubChem CID 106095687) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
PubChem CID106095687
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,6-10(14)17)16-9-5-7(13)3-4-8(9)11(15)18/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyBBWVUOBZHVWEMO-UHFFFAOYSA-N
XLogP0.43
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2-methylpentan-2-ylamino)benzamide
CID 113471591
3-(5-bromo-2-carbamothioylanilino)-3-methylbutanamide
CID 114142934
3-[4-amino-2-(difluoromethyl)anilino]-3-methylbutanamide
CID 106095545
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
4-amino-2-(2,2-difluoroethylamino)benzamide
CID 115405473
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
3-(3-bromo-4-carbamothioyl-2-fluoroanilino)-3-methylbutanamide
CID 106096810
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide?
The IUPAC name of 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide (CID 106095687) is 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide is CC(C)(CC(N)=O)Nc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide?
The InChIKey is BBWVUOBZHVWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,6-10(14)17)16-9-5-7(13)3-4-8(9)11(15)18/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H2,15,18).
What are the key properties of 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide?
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide is sourced from PubChem (CID 106095687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).