[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C23H33NO2 — CID 164710183

IUPAC[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cc(C)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C23H33NO2/c1-4-17-9-16(2)10-19(11-17)18-5-7-23(8-6-18)14-24(15-23)21(25)20-12-22(3,26)13-20/h9-11,18,20,26H,4-8,12-15H2,1-3H3
InChIKeyRPYLPZGVULBVSX-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.20
Rot. Bonds3

About [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710183) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710183
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cc(C)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C23H33NO2/c1-4-17-9-16(2)10-19(11-17)18-5-7-23(8-6-18)14-24(15-23)21(25)20-12-22(3,26)13-20/h9-11,18,20,26H,4-8,12-15H2,1-3H3
InChIKeyRPYLPZGVULBVSX-UHFFFAOYSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710459
[6-[3-(difluoromethyl)-5-methylphenyl]-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710076
[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710104
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699497
[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710020
(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710062
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
[6-(2,3-dihydro-1H-inden-5-yl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710451
[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710176

Frequently Asked Questions

What is the IUPAC name of [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710183) is [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCc1cc(C)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1.
What is the InChIKey of [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is RPYLPZGVULBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-4-17-9-16(2)10-19(11-17)18-5-7-23(8-6-18)14-24(15-23)21(25)20-12-22(3,26)13-20/h9-11,18,20,26H,4-8,12-15H2,1-3H3.
What are the key properties of [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 355.52 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).