N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

C22H27ClN2O2 — CID 119458703

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCc1cccc(COc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)c1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-15-4-2-5-16(10-15)14-26-21-7-3-6-17(11-21)22(25)24-20-12-18-8-9-19(13-20)23-18;/h2-7,10-11,18-20,23H,8-9,12-14H2,1H3,(H,24,25);1H
InChIKeyBOUIFIBZGSWJNA-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.01
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (PubChem CID 119458703) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
PubChem CID119458703
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCc1cccc(COc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)c1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-15-4-2-5-16(10-15)14-26-21-7-3-6-17(11-21)22(25)24-20-12-18-8-9-19(13-20)23-18;/h2-7,10-11,18-20,23H,8-9,12-14H2,1H3,(H,24,25);1H
InChIKeyBOUIFIBZGSWJNA-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119456444
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (CID 119458703) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is Cc1cccc(COc2cccc(C(=O)NC3CC4CCC(C3)N4)c2)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The InChIKey is BOUIFIBZGSWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-15-4-2-5-16(10-15)14-26-21-7-3-6-17(11-21)22(25)24-20-12-18-8-9-19(13-20)23-18;/h2-7,10-11,18-20,23H,8-9,12-14H2,1H3,(H,24,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119458703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).