3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H20N2O4 — CID 92794477

IUPAC3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H20N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-18-14(20)16(17-15(18)21)8-4-5-9-16/h1-3,6-7,12,19H,4-5,8-11H2,(H,17,21)/t12-/m1/s1
InChIKeyFKDFDHLNLGEJPV-GFCCVEGCSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds5

About 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 92794477) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID92794477
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C16H20N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-18-14(20)16(17-15(18)21)8-4-5-9-16/h1-3,6-7,12,19H,4-5,8-11H2,(H,17,21)/t12-/m1/s1
InChIKeyFKDFDHLNLGEJPV-GFCCVEGCSA-N
XLogP1.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
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
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475
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
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
3'-[2-hydroxy-3-(4-phenylphenoxy)propyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112796191
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
3'-(2-hydroxy-3-phenoxypropyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17446580
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223027
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 92794477) is 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)COc1ccccc1.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FKDFDHLNLGEJPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-18-14(20)16(17-15(18)21)8-4-5-9-16/h1-3,6-7,12,19H,4-5,8-11H2,(H,17,21)/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 92794477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).