N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide

C22H26N2O3 — CID 121494527

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)cc1OC
InChIInChI=1S/C22H26N2O3/c1-26-20-8-7-18(13-21(20)27-2)15-3-5-17(6-4-15)22(25)23-19-14-24-11-9-16(19)10-12-24/h3-8,13,16,19H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyQAMPZZONBMCNMA-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.19
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide (PubChem CID 121494527) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
PubChem CID121494527
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)cc1OC
InChIInChI=1S/C22H26N2O3/c1-26-20-8-7-18(13-21(20)27-2)15-3-5-17(6-4-15)22(25)23-19-14-24-11-9-16(19)10-12-24/h3-8,13,16,19H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyQAMPZZONBMCNMA-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22045891

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide (CID 121494527) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide is COc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)cc2)cc1OC.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is QAMPZZONBMCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-8-7-18(13-21(20)27-2)15-3-5-17(6-4-15)22(25)23-19-14-24-11-9-16(19)10-12-24/h3-8,13,16,19H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 121494527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).