N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride

C17H28ClN3O2 — CID 119607897

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)15(21)19-14-8-6-13(7-9-14)16(22)20-17(5,10-18)12(3)4;/h6-9,11-12H,10,18H2,1-5H3,(H,19,21)(H,20,22);1H
InChIKeyZNGAJSKBTPPVGS-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.81
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride (PubChem CID 119607897) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
PubChem CID119607897
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-11(2)15(21)19-14-8-6-13(7-9-14)16(22)20-17(5,10-18)12(3)4;/h6-9,11-12H,10,18H2,1-5H3,(H,19,21)(H,20,22);1H
InChIKeyZNGAJSKBTPPVGS-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119606296

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride (CID 119607897) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride is CC(C)C(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The InChIKey is ZNGAJSKBTPPVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-11(2)15(21)19-14-8-6-13(7-9-14)16(22)20-17(5,10-18)12(3)4;/h6-9,11-12H,10,18H2,1-5H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119607897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).