N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride

C18H31ClN4O2 — CID 119599349

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-12(2)10-18(5,11-19)22-16(23)14-6-8-15(9-7-14)21-17(24)20-13(3)4;/h6-9,12-13H,10-11,19H2,1-5H3,(H,22,23)(H2,20,21,24);1H
InChIKeyVOBVISROECBJLS-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.13
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119599349) has the molecular formula C18H31ClN4O2 and a molecular weight of 370.93 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
PubChem CID119599349
Molecular FormulaC18H31ClN4O2
Molecular Weight370.93 g/mol
Exact Mass370.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-12(2)10-18(5,11-19)22-16(23)14-6-8-15(9-7-14)21-17(24)20-13(3)4;/h6-9,12-13H,10-11,19H2,1-5H3,(H,22,23)(H2,20,21,24);1H
InChIKeyVOBVISROECBJLS-UHFFFAOYSA-N
XLogP3.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
CID 119598761
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (CID 119599349) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is VOBVISROECBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.ClH/c1-12(2)10-18(5,11-19)22-16(23)14-6-8-15(9-7-14)21-17(24)20-13(3)4;/h6-9,12-13H,10-11,19H2,1-5H3,(H,22,23)(H2,20,21,24);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119599349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).