N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide

C16H22N2O — CID 91948829

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CN3CCC2CC3)c1
InChIInChI=1S/C16H22N2O/c1-11-3-4-12(2)14(9-11)16(19)17-15-10-18-7-5-13(15)6-8-18/h3-4,9,13,15H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXTCCRYKPICQDTF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.13
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide (PubChem CID 91948829) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
PubChem CID91948829
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CN3CCC2CC3)c1
InChIInChI=1S/C16H22N2O/c1-11-3-4-12(2)14(9-11)16(19)17-15-10-18-7-5-13(15)6-8-18/h3-4,9,13,15H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXTCCRYKPICQDTF-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 77498341
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-fluoro-3-methylbenzamide
CID 103295745
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-4-(methylamino)benzamide
CID 63210546
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide (CID 91948829) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2CN3CCC2CC3)c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide?
The InChIKey is XTCCRYKPICQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-3-4-12(2)14(9-11)16(19)17-15-10-18-7-5-13(15)6-8-18/h3-4,9,13,15H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 91948829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).