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

C14H23ClN2O — CID 119688348

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-7-5-6-8-11(10)9-16-13(17)12(15)14(2,3)4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyYQLMFOYSVBKJPA-UTONKHPSSA-N
MW270.80 g/mol
LogP2.41
Rot. Bonds3

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

(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (PubChem CID 119688348) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
PubChem CID119688348
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-7-5-6-8-11(10)9-16-13(17)12(15)14(2,3)4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyYQLMFOYSVBKJPA-UTONKHPSSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119808562
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
(2S)-2-amino-3,3-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845611
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
(2S)-2-amino-3,3-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836532
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (CID 119688348) is (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride is Cc1ccccc1CNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is YQLMFOYSVBKJPA-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10-7-5-6-8-11(10)9-16-13(17)12(15)14(2,3)4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.41, 3 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)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119688348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).