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

C16H22N2O — CID 15656840

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C16H22N2O/c1-11-4-3-5-14(12(11)2)16(19)17-15-10-18-8-6-13(15)7-9-18/h3-5,13,15H,6-10H2,1-2H3,(H,17,19)
InChIKeyAOAVFYZQHUSSBR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.13
Rot. Bonds2

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide (PubChem CID 15656840) 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)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide
PubChem CID15656840
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C16H22N2O/c1-11-4-3-5-14(12(11)2)16(19)17-15-10-18-8-6-13(15)7-9-18/h3-5,13,15H,6-10H2,1-2H3,(H,17,19)
InChIKeyAOAVFYZQHUSSBR-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

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide (CID 15656840) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC2CN3CCC2CC3)c1C.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide?
The InChIKey is AOAVFYZQHUSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-3-5-14(12(11)2)16(19)17-15-10-18-8-6-13(15)7-9-18/h3-5,13,15H,6-10H2,1-2H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-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)-2,3-dimethylbenzamide is sourced from PubChem (CID 15656840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).