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

C23H33NO3 — CID 164710459

IUPAC[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cc(OC)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C23H33NO3/c1-4-16-9-18(11-20(10-16)27-3)17-5-7-23(8-6-17)14-24(15-23)21(25)19-12-22(2,26)13-19/h9-11,17,19,26H,4-8,12-15H2,1-3H3
InChIKeyFRJJJJQBAWNXEJ-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.90
Rot. Bonds4

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

[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710459) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710459
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCCc1cc(OC)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C23H33NO3/c1-4-16-9-18(11-20(10-16)27-3)17-5-7-23(8-6-17)14-24(15-23)21(25)19-12-22(2,26)13-19/h9-11,17,19,26H,4-8,12-15H2,1-3H3
InChIKeyFRJJJJQBAWNXEJ-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

Analyze [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(3-ethyl-5-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710183
[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710104
[7-(2,3-difluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710176
[7-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710149
[(6S)-6-(4-cyclopropylphenyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;sulfane
CID 165095352
[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710079
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
[7-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710032
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710438
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699497
[6-[3-(difluoromethyl)-5-methylphenyl]-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710076
(3-hydroxy-3-methylcyclobutyl)-[6-(4-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710062

Frequently Asked Questions

What is the IUPAC name of [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710459) is [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CCc1cc(OC)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1.
What is the InChIKey of [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is FRJJJJQBAWNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-4-16-9-18(11-20(10-16)27-3)17-5-7-23(8-6-17)14-24(15-23)21(25)19-12-22(2,26)13-19/h9-11,17,19,26H,4-8,12-15H2,1-3H3.
What are the key properties of [7-(3-ethyl-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-ethyl-5-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-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).