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

C17H25ClN2O4 — CID 119457267

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-21-14-9-16(23-3)15(22-2)8-13(14)17(20)19-12-6-10-4-5-11(7-12)18-10;/h8-12,18H,4-7H2,1-3H3,(H,19,20);1H
InChIKeyZGCGFPWJGFJKIQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.15
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride (PubChem CID 119457267) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
PubChem CID119457267
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-21-14-9-16(23-3)15(22-2)8-13(14)17(20)19-12-6-10-4-5-11(7-12)18-10;/h8-12,18H,4-7H2,1-3H3,(H,19,20);1H
InChIKeyZGCGFPWJGFJKIQ-UHFFFAOYSA-N
XLogP2.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
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-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
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-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride (CID 119457267) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride is COc1cc(OC)c(C(=O)NC2CC3CCC(C2)N3)cc1OC.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride?
The InChIKey is ZGCGFPWJGFJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-21-14-9-16(23-3)15(22-2)8-13(14)17(20)19-12-6-10-4-5-11(7-12)18-10;/h8-12,18H,4-7H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119457267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).