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

C18H26N2O — CID 79610812

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
SMILESCc1cc(C)cc(N(C)C(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-12-6-13(2)8-17(7-12)20(3)18(21)11-14-9-15-4-5-16(10-14)19-15/h6-8,14-16,19H,4-5,9-11H2,1-3H3
InChIKeyBZJXOCKRNKYNHY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.19
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide (PubChem CID 79610812) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
PubChem CID79610812
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
SMILESCc1cc(C)cc(N(C)C(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-12-6-13(2)8-17(7-12)20(3)18(21)11-14-9-15-4-5-16(10-14)19-15/h6-8,14-16,19H,4-5,9-11H2,1-3H3
InChIKeyBZJXOCKRNKYNHY-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570
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-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
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-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119805915
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide (CID 79610812) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide is Cc1cc(C)cc(N(C)C(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is BZJXOCKRNKYNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-13(2)8-17(7-12)20(3)18(21)11-14-9-15-4-5-16(10-14)19-15/h6-8,14-16,19H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 286.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 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-(3,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 79610812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).