2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

C17H23NO2 — CID 115997761

IUPAC2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-14-7-8-15(18)10-13(9-14)16(19)11-12-5-3-4-6-17(12)20-2/h3-6,13-15H,7-11H2,1-2H3
InChIKeyZGDWHXVEVHMECZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 115997761) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID115997761
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-14-7-8-15(18)10-13(9-14)16(19)11-12-5-3-4-6-17(12)20-2/h3-6,13-15H,7-11H2,1-2H3
InChIKeyZGDWHXVEVHMECZ-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 171949110
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
CID 82082372
1-[2-(2,2-diphenylethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 22909573
1-(3-aminopyrrolidin-1-yl)-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 126795178
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
CID 138989022
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 171940818
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 115997761) is 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is COc1ccccc1CC(=O)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is ZGDWHXVEVHMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-14-7-8-15(18)10-13(9-14)16(19)11-12-5-3-4-6-17(12)20-2/h3-6,13-15H,7-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 115997761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).