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

C18H27ClN2O2 — CID 119680859

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCN(CCOc1ccccc1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-20(9-10-22-17-5-3-2-4-6-17)18(21)13-14-11-15-7-8-16(12-14)19-15;/h2-6,14-16,19H,7-13H2,1H3;1H
InChIKeyVKTMIXYMMKOLHC-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.87
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride (PubChem CID 119680859) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
PubChem CID119680859
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCN(CCOc1ccccc1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-20(9-10-22-17-5-3-2-4-6-17)18(21)13-14-11-15-7-8-16(12-14)19-15;/h2-6,14-16,19H,7-13H2,1H3;1H
InChIKeyVKTMIXYMMKOLHC-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride with MolForge

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Related Compounds

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-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820820
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 119779579
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
N-methyl-2-morpholin-2-yl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
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-methyl-N-pentylacetamide
CID 79607336
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride (CID 119680859) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride is CN(CCOc1ccccc1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
The InChIKey is VKTMIXYMMKOLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-20(9-10-22-17-5-3-2-4-6-17)18(21)13-14-11-15-7-8-16(12-14)19-15;/h2-6,14-16,19H,7-13H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.87, 6 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-(2-phenoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 119680859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).