N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride

C16H23ClN4O2 — CID 119660257

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2ncon2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-11(2)14(17)8-9-20(3)16(21)13-6-4-12(5-7-13)15-18-10-22-19-15;/h4-7,10-11,14H,8-9,17H2,1-3H3;1H
InChIKeyVDOSEJIGPFDKLR-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.60
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (PubChem CID 119660257) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
PubChem CID119660257
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2ncon2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-11(2)14(17)8-9-20(3)16(21)13-6-4-12(5-7-13)15-18-10-22-19-15;/h4-7,10-11,14H,8-9,17H2,1-3H3;1H
InChIKeyVDOSEJIGPFDKLR-UHFFFAOYSA-N
XLogP2.60
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119661472
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
N-(3-amino-4-methylpentyl)-2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119658740

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride (CID 119660257) is N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(-c2ncon2)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
The InChIKey is VDOSEJIGPFDKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-11(2)14(17)8-9-20(3)16(21)13-6-4-12(5-7-13)15-18-10-22-19-15;/h4-7,10-11,14H,8-9,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119660257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).