3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C22H32N2O4 — CID 18086921

IUPAC3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)(C)c1ccc(OCC(O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-21(2,3)16-8-10-18(11-9-16)28-15-17(25)14-24-19(26)22(23-20(24)27)12-6-4-5-7-13-22/h8-11,17,25H,4-7,12-15H2,1-3H3,(H,23,27)
InChIKeyUQBRNFYXXKVANY-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.37
Rot. Bonds5

About 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 18086921) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID18086921
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)(C)c1ccc(OCC(O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C22H32N2O4/c1-21(2,3)16-8-10-18(11-9-16)28-15-17(25)14-24-19(26)22(23-20(24)27)12-6-4-5-7-13-22/h8-11,17,25H,4-7,12-15H2,1-3H3,(H,23,27)
InChIKeyUQBRNFYXXKVANY-UHFFFAOYSA-N
XLogP3.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[3-[4-[2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 2884368
3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92853467
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42947874
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
(5R,6S)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924278
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31572513
methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate
CID 46664481

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 18086921) is 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC(C)(C)c1ccc(OCC(O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is UQBRNFYXXKVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-21(2,3)16-8-10-18(11-9-16)28-15-17(25)14-24-19(26)22(23-20(24)27)12-6-4-5-7-13-22/h8-11,17,25H,4-7,12-15H2,1-3H3,(H,23,27).
What are the key properties of 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 388.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 18086921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).