N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide

C16H22N2O2 — CID 61233345

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

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide (PubChem CID 61233345) 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)-2-hydroxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
PubChem CID61233345
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H22N2O2/c1-10-3-6-15(19)14(7-10)16(20)18(2)13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17,19H,4-5,8-9H2,1-2H3
InChIKeyQAYUEFYUSKJBEH-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-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
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)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103840422
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N,3-dimethylbenzamide
CID 115760408
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide (CID 61233345) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)C2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide?
The InChIKey is QAYUEFYUSKJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-3-6-15(19)14(7-10)16(20)18(2)13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17,19H,4-5,8-9H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-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)-2-hydroxy-N,5-dimethylbenzamide is sourced from PubChem (CID 61233345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).