1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone

C19H25NO2 — CID 90948759

IUPAC1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(C)(C)N=C2CC(=O)C1CCCCC1
InChIInChI=1S/C19H25NO2/c1-19(2)16-11-14(22-3)9-10-15(16)17(20-19)12-18(21)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3
InChIKeyGXUFOEVLJWRMQX-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone

1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone (PubChem CID 90948759) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone
PubChem CID90948759
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone
SMILESCOc1ccc2c(c1)C(C)(C)N=C2CC(=O)C1CCCCC1
InChIInChI=1S/C19H25NO2/c1-19(2)16-11-14(22-3)9-10-15(16)17(20-19)12-18(21)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3
InChIKeyGXUFOEVLJWRMQX-UHFFFAOYSA-N
XLogP4.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
2-(6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-cycloheptylethanone
CID 91128294
1-cycloheptyl-2-[7-(dimethylamino)-3,3-dimethyl-4H-isoquinolin-1-yl]ethanone
CID 91314046
1-cycloheptyl-2-[7-[(dimethylamino)methyl]-6-methoxy-3,3-dimethyl-4H-isoquinolin-1-yl]ethanone
CID 91111798
1-cyclohexyl-2-[6-methoxy-3,3-dimethyl-7-(methylaminomethyl)-4H-isoquinolin-1-yl]ethanone
CID 90838720
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(7-bromo-3,3,6-trimethyl-4H-isoquinolin-1-yl)-1-cyclohexylethanone
CID 90715050
2-(7-amino-3,3,6-trimethyl-4H-isoquinolin-1-yl)-1-cyclohexylethanone
CID 91529608
1-(2-cycloheptyl-2-oxoethyl)-3,3,6-trimethyl-4H-isoquinoline-7-carboxylic acid
CID 91499407
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone (CID 90948759) is 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone is COc1ccc2c(c1)C(C)(C)N=C2CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone?
The InChIKey is GXUFOEVLJWRMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2)16-11-14(22-3)9-10-15(16)17(20-19)12-18(21)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone?
1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone has a molecular weight of 299.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone is sourced from PubChem (CID 90948759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).