3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride

C15H23ClN4O3 — CID 119714323

IUPAC3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-15(2,3)12(17)14(22)19-10-6-4-5-9(7-10)13(21)18-8-11(16)20;/h4-7,12H,8,17H2,1-3H3,(H2,16,20)(H,18,21)(H,19,22);1H/t12-;/m1./s1
InChIKeyLBDAKOQMKBTYMY-UTONKHPSSA-N
MW342.83 g/mol
LogP0.64
Rot. Bonds5

About 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride (PubChem CID 119714323) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
PubChem CID119714323
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-15(2,3)12(17)14(22)19-10-6-4-5-9(7-10)13(21)18-8-11(16)20;/h4-7,12H,8,17H2,1-3H3,(H2,16,20)(H,18,21)(H,19,22);1H/t12-;/m1./s1
InChIKeyLBDAKOQMKBTYMY-UTONKHPSSA-N
XLogP0.64
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride 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

3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
3-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
CID 119318176
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The IUPAC name of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride (CID 119714323) is 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1.Cl.
What is the InChIKey of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
The InChIKey is LBDAKOQMKBTYMY-UTONKHPSSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-15(2,3)12(17)14(22)19-10-6-4-5-9(7-10)13(21)18-8-11(16)20;/h4-7,12H,8,17H2,1-3H3,(H2,16,20)(H,18,21)(H,19,22);1H/t12-;/m1./s1.
What are the key properties of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride?
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride is sourced from PubChem (CID 119714323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).