2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide

C13H21N3O — CID 104829686

IUPAC2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1ccc(N)c(C(N)=O)c1)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-9-5-6-11(14)10(7-9)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyLYHFVQVJXSWLAX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide

2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide (PubChem CID 104829686) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
PubChem CID104829686
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1ccc(N)c(C(N)=O)c1)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-9-5-6-11(14)10(7-9)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyLYHFVQVJXSWLAX-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

2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
CID 114115332
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
CID 115357122
2-amino-5-[(1-amino-2-methyl-1-oxobutan-2-yl)amino]benzamide
CID 112738398
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
2-amino-5-(4-bromoanilino)benzamide
CID 61306724

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide?
The IUPAC name of 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide (CID 104829686) is 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide is CC(Nc1ccc(N)c(C(N)=O)c1)C(C)(C)C.
What is the InChIKey of 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide?
The InChIKey is LYHFVQVJXSWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(13(2,3)4)16-9-5-6-11(14)10(7-9)12(15)17/h5-8,16H,14H2,1-4H3,(H2,15,17).
What are the key properties of 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide?
2-amino-5-(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 2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide is sourced from PubChem (CID 104829686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).