(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride

C13H21ClN2O — CID 119670466

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-7-5-6-8-10(9)15-12(16)11(14)13(2,3)4;/h5-8,11H,14H2,1-4H3,(H,15,16);1H/t11-;/m1./s1
InChIKeyXPQUYKSPNMZAQY-RFVHGSKJSA-N
MW256.78 g/mol
LogP2.73
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride (PubChem CID 119670466) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
PubChem CID119670466
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-7-5-6-8-10(9)15-12(16)11(14)13(2,3)4;/h5-8,11H,14H2,1-4H3,(H,15,16);1H/t11-;/m1./s1
InChIKeyXPQUYKSPNMZAQY-RFVHGSKJSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;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

2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride (CID 119670466) is (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride is Cc1ccccc1NC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride?
The InChIKey is XPQUYKSPNMZAQY-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9-7-5-6-8-10(9)15-12(16)11(14)13(2,3)4;/h5-8,11H,14H2,1-4H3,(H,15,16);1H/t11-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119670466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).