(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride

C15H25ClN2O — CID 119681885

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11-6-8-12(9-7-11)10-17(5)14(18)13(16)15(2,3)4;/h6-9,13H,10,16H2,1-5H3;1H/t13-;/m1./s1
InChIKeyUPMLEPSTCFSLMK-BTQNPOSSSA-N
MW284.83 g/mol
LogP2.75
Rot. Bonds3

About (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride (PubChem CID 119681885) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
PubChem CID119681885
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11-6-8-12(9-7-11)10-17(5)14(18)13(16)15(2,3)4;/h6-9,13H,10,16H2,1-5H3;1H/t13-;/m1./s1
InChIKeyUPMLEPSTCFSLMK-BTQNPOSSSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride (CID 119681885) is (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride is Cc1ccc(CN(C)C(=O)[C@@H](N)C(C)(C)C)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is UPMLEPSTCFSLMK-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-11-6-8-12(9-7-11)10-17(5)14(18)13(16)15(2,3)4;/h6-9,13H,10,16H2,1-5H3;1H/t13-;/m1./s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119681885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).