2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide

C16H22N2O — CID 79607846

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H22N2O/c1-11-4-2-3-5-15(11)18-16(19)10-12-8-13-6-7-14(9-12)17-13/h2-5,12-14,17H,6-10H2,1H3,(H,18,19)
InChIKeyIHEAVHJPCXYHDT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.85
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 79607846) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID79607846
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H22N2O/c1-11-4-2-3-5-15(11)18-16(19)10-12-8-13-6-7-14(9-12)17-13/h2-5,12-14,17H,6-10H2,1H3,(H,18,19)
InChIKeyIHEAVHJPCXYHDT-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
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-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 119901048
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide (CID 79607846) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is IHEAVHJPCXYHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-2-3-5-15(11)18-16(19)10-12-8-13-6-7-14(9-12)17-13/h2-5,12-14,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.85, 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-methylphenyl)acetamide is sourced from PubChem (CID 79607846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).