[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C23H33NO3 — CID 164710020

IUPAC[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOC1(c2cc(C)cc(C)c2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C23H33NO3/c1-16-9-17(2)11-19(10-16)23(27-4)7-5-22(6-8-23)14-24(15-22)20(25)18-12-21(3,26)13-18/h9-11,18,26H,5-8,12-15H2,1-4H3
InChIKeyHQNFIALRULPJIX-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.71
Rot. Bonds3

About [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710020) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710020
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOC1(c2cc(C)cc(C)c2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2
InChIInChI=1S/C23H33NO3/c1-16-9-17(2)11-19(10-16)23(27-4)7-5-22(6-8-23)14-24(15-22)20(25)18-12-21(3,26)13-18/h9-11,18,26H,5-8,12-15H2,1-4H3
InChIKeyHQNFIALRULPJIX-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710020) is [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is COC1(c2cc(C)cc(C)c2)CCC2(CC1)CN(C(=O)C1CC(C)(O)C1)C2.
What is the InChIKey of [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is HQNFIALRULPJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-16-9-17(2)11-19(10-16)23(27-4)7-5-22(6-8-23)14-24(15-22)20(25)18-12-21(3,26)13-18/h9-11,18,26H,5-8,12-15H2,1-4H3.
What are the key properties of [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 371.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-dimethylphenyl)-7-methoxy-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).