3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C22H30N2O4 — CID 51223027

IUPAC3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C22H30N2O4/c1-2-10-17-11-6-7-12-19(17)28-16-18(25)15-24-20(26)22(23-21(24)27)13-8-4-3-5-9-14-22/h2,6-7,11-12,18,25H,1,3-5,8-10,13-16H2,(H,23,27)
InChIKeyJKJJPGRWZNBQNA-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.19
Rot. Bonds7

About 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 51223027) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID51223027
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C22H30N2O4/c1-2-10-17-11-6-7-12-19(17)28-16-18(25)15-24-20(26)22(23-21(24)27)13-8-4-3-5-9-14-22/h2,6-7,11-12,18,25H,1,3-5,8-10,13-16H2,(H,23,27)
InChIKeyJKJJPGRWZNBQNA-UHFFFAOYSA-N
XLogP3.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
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-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 750544
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51223241
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
1-piperidin-1-ium-1-yl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4619097
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
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
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770383

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 51223027) is 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is C=CCc1ccccc1OCC(O)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is JKJJPGRWZNBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-2-10-17-11-6-7-12-19(17)28-16-18(25)15-24-20(26)22(23-21(24)27)13-8-4-3-5-9-14-22/h2,6-7,11-12,18,25H,1,3-5,8-10,13-16H2,(H,23,27).
What are the key properties of 3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 386.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 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]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 51223027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).