2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide

C17H24N2O2 — CID 79610332

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(O)c1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H24N2O2/c1-19(11-12-3-2-4-16(20)9-12)17(21)10-13-7-14-5-6-15(8-13)18-14/h2-4,9,13-15,18,20H,5-8,10-11H2,1H3
InChIKeyLHGCQEMSAFOYHB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 79610332) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID79610332
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(O)c1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H24N2O2/c1-19(11-12-3-2-4-16(20)9-12)17(21)10-13-7-14-5-6-15(8-13)18-14/h2-4,9,13-15,18,20H,5-8,10-11H2,1H3
InChIKeyLHGCQEMSAFOYHB-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681824
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide;dihydrochloride
CID 119864909
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide (CID 79610332) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1cccc(O)c1)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LHGCQEMSAFOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(11-12-3-2-4-16(20)9-12)17(21)10-13-7-14-5-6-15(8-13)18-14/h2-4,9,13-15,18,20H,5-8,10-11H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 288.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 79610332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).