N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride

C17H25ClN2O3 — CID 119458491

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
SMILESCOc1cc(C)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-10-6-15(21-2)16(22-3)9-14(10)17(20)19-13-7-11-4-5-12(8-13)18-11;/h6,9,11-13,18H,4-5,7-8H2,1-3H3,(H,19,20);1H
InChIKeyQHSWUZVEQDATJA-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.45
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride (PubChem CID 119458491) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
PubChem CID119458491
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
SMILESCOc1cc(C)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-10-6-15(21-2)16(22-3)9-14(10)17(20)19-13-7-11-4-5-12(8-13)18-11;/h6,9,11-13,18H,4-5,7-8H2,1-3H3,(H,19,20);1H
InChIKeyQHSWUZVEQDATJA-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119458090
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride (CID 119458491) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride is COc1cc(C)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride?
The InChIKey is QHSWUZVEQDATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-10-6-15(21-2)16(22-3)9-14(10)17(20)19-13-7-11-4-5-12(8-13)18-11;/h6,9,11-13,18H,4-5,7-8H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119458491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).