N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride

C16H27ClN2O — CID 119598585

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)9-16(5,10-17)18-15(19)14-7-12(3)6-13(4)8-14;/h6-8,11H,9-10,17H2,1-5H3,(H,18,19);1H
InChIKeyWYWXSYMIRLHFHB-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.22
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride (PubChem CID 119598585) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
PubChem CID119598585
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC(C)(CN)CC(C)C)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-11(2)9-16(5,10-17)18-15(19)14-7-12(3)6-13(4)8-14;/h6-8,11H,9-10,17H2,1-5H3,(H,18,19);1H
InChIKeyWYWXSYMIRLHFHB-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
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-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride (CID 119598585) is N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride is Cc1cc(C)cc(C(=O)NC(C)(CN)CC(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
The InChIKey is WYWXSYMIRLHFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-11(2)9-16(5,10-17)18-15(19)14-7-12(3)6-13(4)8-14;/h6-8,11H,9-10,17H2,1-5H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.22, 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)-3,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119598585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).