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

C17H33ClN2O — CID 119822033

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-4-17(5-2,6-3)12-18-16(20)11-13-9-14-7-8-15(10-13)19-14;/h13-15,19H,4-12H2,1-3H3,(H,18,20);1H
InChIKeyXUHCPBGGDPSJQZ-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.66
Rot. Bonds7

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride (PubChem CID 119822033) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
PubChem CID119822033
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-4-17(5-2,6-3)12-18-16(20)11-13-9-14-7-8-15(10-13)19-14;/h13-15,19H,4-12H2,1-3H3,(H,18,20);1H
InChIKeyXUHCPBGGDPSJQZ-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
CID 119885767
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119794353
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756888
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,2-dimethylcyclopropyl)methyl]acetamide
CID 113266851

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride (CID 119822033) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride is CCC(CC)(CC)CNC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride?
The InChIKey is XUHCPBGGDPSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-4-17(5-2,6-3)12-18-16(20)11-13-9-14-7-8-15(10-13)19-14;/h13-15,19H,4-12H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride is sourced from PubChem (CID 119822033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).