4-amino-2-(2-methylpentan-2-ylamino)benzamide

C13H21N3O — CID 113471591

IUPAC4-amino-2-(2-methylpentan-2-ylamino)benzamide
SMILESCCCC(C)(C)Nc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-4-7-13(2,3)16-11-8-9(14)5-6-10(11)12(15)17/h5-6,8,16H,4,7,14H2,1-3H3,(H2,15,17)
InChIKeyGRVJQQKENJYMDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-2-(2-methylpentan-2-ylamino)benzamide

4-amino-2-(2-methylpentan-2-ylamino)benzamide (PubChem CID 113471591) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-2-(2-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpentan-2-ylamino)benzamide
PubChem CID113471591
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-2-(2-methylpentan-2-ylamino)benzamide
SMILESCCCC(C)(C)Nc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-4-7-13(2,3)16-11-8-9(14)5-6-10(11)12(15)17/h5-6,8,16H,4,7,14H2,1-3H3,(H2,15,17)
InChIKeyGRVJQQKENJYMDU-UHFFFAOYSA-N
XLogP2.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2-methylpentan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
CID 113471979
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
4-amino-2-(2,2-difluoroethylamino)benzamide
CID 115405473
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-2-(4-methylsulfanylbutylamino)benzamide
CID 113487250
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106183600
methyl 5-amino-2-(2-methylbutan-2-ylamino)benzoate
CID 61312271
2-(2-carbamoyl-5-methylanilino)-2-methylbutanoic acid
CID 79798787
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpentan-2-ylamino)benzamide?
The IUPAC name of 4-amino-2-(2-methylpentan-2-ylamino)benzamide (CID 113471591) is 4-amino-2-(2-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-2-(2-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-2-(2-methylpentan-2-ylamino)benzamide is CCCC(C)(C)Nc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-(2-methylpentan-2-ylamino)benzamide?
The InChIKey is GRVJQQKENJYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-7-13(2,3)16-11-8-9(14)5-6-10(11)12(15)17/h5-6,8,16H,4,7,14H2,1-3H3,(H2,15,17).
What are the key properties of 4-amino-2-(2-methylpentan-2-ylamino)benzamide?
4-amino-2-(2-methylpentan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 113471591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).