cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C19H25NO2 — CID 16671826

IUPACcyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(C2(O)CC3CCC(C2)N3C(=O)C2CCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13-5-7-15(8-6-13)19(22)11-16-9-10-17(12-19)20(16)18(21)14-3-2-4-14/h5-8,14,16-17,22H,2-4,9-12H2,1H3
InChIKeySLRXPYXNSNEPMK-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.14
Rot. Bonds2

About cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 16671826) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID16671826
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(C2(O)CC3CCC(C2)N3C(=O)C2CCC2)cc1
InChIInChI=1S/C19H25NO2/c1-13-5-7-15(8-6-13)19(22)11-16-9-10-17(12-19)20(16)18(21)14-3-2-4-14/h5-8,14,16-17,22H,2-4,9-12H2,1H3
InChIKeySLRXPYXNSNEPMK-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 16671826) is cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1ccc(C2(O)CC3CCC(C2)N3C(=O)C2CCC2)cc1.
What is the InChIKey of cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is SLRXPYXNSNEPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-5-7-15(8-6-13)19(22)11-16-9-10-17(12-19)20(16)18(21)14-3-2-4-14/h5-8,14,16-17,22H,2-4,9-12H2,1H3.
What are the key properties of cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 299.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-hydroxy-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 16671826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).