2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride

C17H25ClN2O — CID 119669268

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-11-3-4-12(2)16(7-11)19-17(20)10-13-8-14-5-6-15(9-13)18-14;/h3-4,7,13-15,18H,5-6,8-10H2,1-2H3,(H,19,20);1H
InChIKeyGREHZRSTOPZWEV-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.58
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride (PubChem CID 119669268) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
PubChem CID119669268
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-11-3-4-12(2)16(7-11)19-17(20)10-13-8-14-5-6-15(9-13)18-14;/h3-4,7,13-15,18H,5-6,8-10H2,1-2H3,(H,19,20);1H
InChIKeyGREHZRSTOPZWEV-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.58
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-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide;dihydrochloride
CID 119895283
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]acetamide
CID 119887747
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 119795170
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
CID 119858239
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723624
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride (CID 119669268) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride is Cc1ccc(C)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is GREHZRSTOPZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-11-3-4-12(2)16(7-11)19-17(20)10-13-8-14-5-6-15(9-13)18-14;/h3-4,7,13-15,18H,5-6,8-10H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.58, 3 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-(2,5-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119669268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).