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

C23H33NO3 — CID 164709969

IUPAC[7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1OC
InChIInChI=1S/C23H33NO3/c1-4-16-6-5-7-19(20(16)27-3)17-8-10-23(11-9-17)14-24(15-23)21(25)18-12-22(2,26)13-18/h5-7,17-18,26H,4,8-15H2,1-3H3
InChIKeyOIHAOEOFMNDFNB-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.90
Rot. Bonds4

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

[7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164709969) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164709969
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1OC
InChIInChI=1S/C23H33NO3/c1-4-16-6-5-7-19(20(16)27-3)17-8-10-23(11-9-17)14-24(15-23)21(25)18-12-22(2,26)13-18/h5-7,17-18,26H,4,8-15H2,1-3H3
InChIKeyOIHAOEOFMNDFNB-UHFFFAOYSA-N
XLogP3.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164709969) is [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1OC.
What is the InChIKey of [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is OIHAOEOFMNDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-4-16-6-5-7-19(20(16)27-3)17-8-10-23(11-9-17)14-24(15-23)21(25)18-12-22(2,26)13-18/h5-7,17-18,26H,4,8-15H2,1-3H3.
What are the key properties of [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 371.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-ethyl-2-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164709969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).