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

C14H23ClN2O — CID 119670070

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-14(2,3)12(15)13(17)16-10-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyWVYJYMZUAYPDGO-UTONKHPSSA-N
MW270.80 g/mol
LogP2.14
Rot. Bonds4

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

(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 119670070) 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-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID119670070
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-14(2,3)12(15)13(17)16-10-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyWVYJYMZUAYPDGO-UTONKHPSSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723677
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride (CID 119670070) is (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is WVYJYMZUAYPDGO-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-14(2,3)12(15)13(17)16-10-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3,(H,16,17);1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.14, 4 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-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119670070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).