(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone

C22H31NO2 — CID 164710062

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3
InChIKeyQUXHNODBCKGBMR-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.07
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164710062) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID164710062
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3
InChIKeyQUXHNODBCKGBMR-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone (CID 164710062) is (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone is CC(C)c1ccc(C2CCC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is QUXHNODBCKGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(2)16-4-6-17(7-5-16)18-8-9-22(12-18)13-23(14-22)20(24)19-10-21(3,25)11-19/h4-7,15,18-19,25H,8-14H2,1-3H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 341.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).