N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid

C17H22N2O6 — CID 24834277

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
SMILESCOc1ccccc1C(=O)NC1CN2CCC1CC2.O=C(O)C(=O)O
InChIInChI=1S/C15H20N2O2.C2H2O4/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17;3-1(4)2(5)6/h2-5,11,13H,6-10H2,1H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyOHFCFQMITJPYLL-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.67
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid (PubChem CID 24834277) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
PubChem CID24834277
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
SMILESCOc1ccccc1C(=O)NC1CN2CCC1CC2.O=C(O)C(=O)O
InChIInChI=1S/C15H20N2O2.C2H2O4/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17;3-1(4)2(5)6/h2-5,11,13H,6-10H2,1H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyOHFCFQMITJPYLL-UHFFFAOYSA-N
XLogP0.67
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
CID 15616383
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-propoxybenzamide;2,2,2-trifluoroacetic acid
CID 45381613
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 70162214
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-2,4-dimethoxybenzamide;hydrochloride
CID 14097661
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid (CID 24834277) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid is COc1ccccc1C(=O)NC1CN2CCC1CC2.O=C(O)C(=O)O.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid?
The InChIKey is OHFCFQMITJPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C2H2O4/c1-19-14-5-3-2-4-12(14)15(18)16-13-10-17-8-6-11(13)7-9-17;3-1(4)2(5)6/h2-5,11,13H,6-10H2,1H3,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid has a molecular weight of 350.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid is sourced from PubChem (CID 24834277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).