N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide

C16H22N2O2 — CID 61232203

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CC3CCC(C2)N3)cc1O
InChIInChI=1S/C16H22N2O2/c1-10-3-4-11(7-15(10)19)16(20)18(2)14-8-12-5-6-13(9-14)17-12/h3-4,7,12-14,17,19H,5-6,8-9H2,1-2H3
InChIKeyVBPHICULHLHCOU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.06
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 61232203) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID61232203
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CC3CCC(C2)N3)cc1O
InChIInChI=1S/C16H22N2O2/c1-10-3-4-11(7-15(10)19)16(20)18(2)14-8-12-5-6-13(9-14)17-12/h3-4,7,12-14,17,19H,5-6,8-9H2,1-2H3
InChIKeyVBPHICULHLHCOU-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
CID 61233345
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dihydroxy-N-methylbenzamide
CID 61232206
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-nitrobenzamide
CID 61230667
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 99850405

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide (CID 61232203) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C2CC3CCC(C2)N3)cc1O.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is VBPHICULHLHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-3-4-11(7-15(10)19)16(20)18(2)14-8-12-5-6-13(9-14)17-12/h3-4,7,12-14,17,19H,5-6,8-9H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.06, 2 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-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 61232203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).