1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone

C19H27NO3 — CID 122255260

IUPAC1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO3/c1-13(2)14-4-8-17(9-5-14)23-12-19(21)20-15-6-7-16(20)11-18(10-15)22-3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3
InChIKeyJUIBAQFLUICYTC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone

1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 122255260) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID122255260
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO3/c1-13(2)14-4-8-17(9-5-14)23-12-19(21)20-15-6-7-16(20)11-18(10-15)22-3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3
InChIKeyJUIBAQFLUICYTC-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 122255237
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300
1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenoxyethanone
CID 90615849
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
2-(4-chlorophenoxy)-1-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]ethanone
CID 162632522
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
CID 49063748
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone (CID 122255260) is 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone is COC1CC2CCC(C1)N2C(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is JUIBAQFLUICYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13(2)14-4-8-17(9-5-14)23-12-19(21)20-15-6-7-16(20)11-18(10-15)22-3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3.
What are the key properties of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 317.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 122255260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).