N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119597417

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(2)9-16(3,10-17)18-15(19)12-4-5-13-14(8-12)21-7-6-20-13;/h4-5,8,11H,6-7,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyQOBHIYATSRREKG-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.37
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride (PubChem CID 119597417) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
PubChem CID119597417
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(2)9-16(3,10-17)18-15(19)12-4-5-13-14(8-12)21-7-6-20-13;/h4-5,8,11H,6-7,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyQOBHIYATSRREKG-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)propanamide;hydrochloride
CID 119600376
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)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-[(2S)-3,3-dimethylbutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 27233135
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride (CID 119597417) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
The InChIKey is QOBHIYATSRREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(2)9-16(3,10-17)18-15(19)12-4-5-13-14(8-12)21-7-6-20-13;/h4-5,8,11H,6-7,9-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119597417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).