N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride

C15H25ClN2O — CID 119599324

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)9-15(4,10-16)17-14(18)13-7-5-6-12(3)8-13;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H
InChIKeyYAUZKAFGWMBNCU-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.91
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride (PubChem CID 119599324) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
PubChem CID119599324
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)9-15(4,10-16)17-14(18)13-7-5-6-12(3)8-13;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H
InChIKeyYAUZKAFGWMBNCU-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119599150

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride (CID 119599324) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC(C)(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride?
The InChIKey is YAUZKAFGWMBNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-11(2)9-15(4,10-16)17-14(18)13-7-5-6-12(3)8-13;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119599324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).