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

C15H25ClN2O — CID 119686872

IUPAC(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-10(2)11-7-6-8-12(9-11)17-14(18)13(16)15(3,4)5;/h6-10,13H,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyGRKKTQQNCGPYPJ-BTQNPOSSSA-N
MW284.83 g/mol
LogP3.54
Rot. Bonds3

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

(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride (PubChem CID 119686872) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
PubChem CID119686872
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-10(2)11-7-6-8-12(9-11)17-14(18)13(16)15(3,4)5;/h6-10,13H,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1
InChIKeyGRKKTQQNCGPYPJ-BTQNPOSSSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
2,2-dimethyl-3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 82821169
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride (CID 119686872) is (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride is CC(C)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride?
The InChIKey is GRKKTQQNCGPYPJ-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-10(2)11-7-6-8-12(9-11)17-14(18)13(16)15(3,4)5;/h6-10,13H,16H2,1-5H3,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 3.54, 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-(3-propan-2-ylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119686872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).