2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

C20H27NO4 — CID 18087097

IUPAC2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(C)c(OCC(O)CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C20H27NO4/c1-14-6-7-15(2)17(10-14)25-13-16(22)12-21-18(23)11-20(19(21)24)8-4-3-5-9-20/h6-7,10,16,22H,3-5,8-9,11-13H2,1-2H3
InChIKeyVBYVLJWBBBRWAT-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.75
Rot. Bonds5

About 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 18087097) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID18087097
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(C)c(OCC(O)CN2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C20H27NO4/c1-14-6-7-15(2)17(10-14)25-13-16(22)12-21-18(23)11-20(19(21)24)8-4-3-5-9-20/h6-7,10,16,22H,3-5,8-9,11-13H2,1-2H3
InChIKeyVBYVLJWBBBRWAT-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione 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

2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579986
2-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18205470
2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613459
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613471
2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087088
2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 75858651
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087083
2-[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579870
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (CID 18087097) is 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is Cc1ccc(C)c(OCC(O)CN2C(=O)CC3(CCCCC3)C2=O)c1.
What is the InChIKey of 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is VBYVLJWBBBRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-14-6-7-15(2)17(10-14)25-13-16(22)12-21-18(23)11-20(19(21)24)8-4-3-5-9-20/h6-7,10,16,22H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 345.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 18087097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).