(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride

C14H23ClN2O — CID 119669266

IUPAC(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-9-6-7-10(2)11(8-9)16-13(17)12(15)14(3,4)5;/h6-8,12H,15H2,1-5H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyNOTVIHFPPDPGEX-UTONKHPSSA-N
MW270.80 g/mol
LogP3.04
Rot. Bonds2

About (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119669266) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119669266
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-9-6-7-10(2)11(8-9)16-13(17)12(15)14(3,4)5;/h6-8,12H,15H2,1-5H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyNOTVIHFPPDPGEX-UTONKHPSSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride (CID 119669266) is (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride is Cc1ccc(C)c(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is NOTVIHFPPDPGEX-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-9-6-7-10(2)11(8-9)16-13(17)12(15)14(3,4)5;/h6-8,12H,15H2,1-5H3,(H,16,17);1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119669266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).