3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C21H28N2O4 — CID 51223241

IUPAC3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C21H28N2O4/c1-3-9-16-10-5-6-11-18(16)27-15-17(24)14-23-19(25)21(22(2)20(23)26)12-7-4-8-13-21/h3,5-6,10-11,17,24H,1,4,7-9,12-15H2,2H3
InChIKeyBZRQGIONTCXVQR-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.75
Rot. Bonds7

About 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51223241) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51223241
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C21H28N2O4/c1-3-9-16-10-5-6-11-18(16)27-15-17(24)14-23-19(25)21(22(2)20(23)26)12-7-4-8-13-21/h3,5-6,10-11,17,24H,1,4,7-9,12-15H2,2H3
InChIKeyBZRQGIONTCXVQR-UHFFFAOYSA-N
XLogP2.75
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223027
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31576115
3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 750544
3-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 52502610
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959729
1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770396
2-[(2R)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
CID 51933549
(2S)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 95570869

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51223241) is 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C=CCc1ccccc1OCC(O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BZRQGIONTCXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-3-9-16-10-5-6-11-18(16)27-15-17(24)14-23-19(25)21(22(2)20(23)26)12-7-4-8-13-21/h3,5-6,10-11,17,24H,1,4,7-9,12-15H2,2H3.
What are the key properties of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51223241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).