2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride

C22H27ClN2O2 — CID 119758161

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
SMILESCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-24(22(25)15-16-13-17-7-8-18(14-16)23-17)19-9-11-21(12-10-19)26-20-5-3-2-4-6-20;/h2-6,9-12,16-18,23H,7-8,13-15H2,1H3;1H
InChIKeyGVCUJBWWZHTLMF-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.78
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride (PubChem CID 119758161) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
PubChem CID119758161
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
SMILESCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-24(22(25)15-16-13-17-7-8-18(14-16)23-17)19-9-11-21(12-10-19)26-20-5-3-2-4-6-20;/h2-6,9-12,16-18,23H,7-8,13-15H2,1H3;1H
InChIKeyGVCUJBWWZHTLMF-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
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-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 79610812
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
CID 119753319
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
CID 119758153

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride (CID 119758161) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride is CN(C(=O)CC1CC2CCC(C1)N2)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride?
The InChIKey is GVCUJBWWZHTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-24(22(25)15-16-13-17-7-8-18(14-16)23-17)19-9-11-21(12-10-19)26-20-5-3-2-4-6-20;/h2-6,9-12,16-18,23H,7-8,13-15H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 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-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119758161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).