4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide

C13H19N3O2 — CID 79011407

IUPAC4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(17)15-3/h4-8,11H,14H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyKGXPVWCHUQMETI-LLVKDONJSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds4

About 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide

4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide (PubChem CID 79011407) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
PubChem CID79011407
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(17)15-3/h4-8,11H,14H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyKGXPVWCHUQMETI-LLVKDONJSA-N
XLogP0.97
TPSA84.22 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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide 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-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
methyl 3-[[4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoyl]amino]propanoate;hydrochloride
CID 119277502
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
4-[2-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]ethynyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide;methane
CID 159026636
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide (CID 79011407) is 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1.
What is the InChIKey of 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide?
The InChIKey is KGXPVWCHUQMETI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(17)15-3/h4-8,11H,14H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide?
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 79011407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).