4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide

C13H21N3O — CID 113457683

IUPAC4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1cc(N)ccc1C(N)=O)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-7-9(14)5-6-10(11)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyYNAOPJDLPNHNBZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide

4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide (PubChem CID 113457683) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
PubChem CID113457683
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1cc(N)ccc1C(N)=O)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-7-9(14)5-6-10(11)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyYNAOPJDLPNHNBZ-UHFFFAOYSA-N
XLogP2.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
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

4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
4-amino-2-(2,2-difluoroethylamino)benzamide
CID 115405473
4-amino-2-(2-methylpentan-2-ylamino)benzamide
CID 113471591
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
4-amino-2-(3,3-dimethylbutanoylamino)benzoic acid
CID 63116322
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
4-amino-2-(3-fluoro-5-methylanilino)benzamide
CID 79048555
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide?
The IUPAC name of 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide (CID 113457683) is 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide is CC(Nc1cc(N)ccc1C(N)=O)C(C)(C)C.
What is the InChIKey of 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide?
The InChIKey is YNAOPJDLPNHNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-7-9(14)5-6-10(11)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17).
What are the key properties of 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide?
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide is sourced from PubChem (CID 113457683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).