5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione

C19H28N2O4 — CID 18086989

IUPAC5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O
InChIInChI=1S/C19H28N2O4/c1-5-19(6-2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-8-7-9-15(16)13(3)4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyGVQJQLXAGGRWIU-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.66
Rot. Bonds8

About 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione (PubChem CID 18086989) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
PubChem CID18086989
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O
InChIInChI=1S/C19H28N2O4/c1-5-19(6-2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-8-7-9-15(16)13(3)4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,20,24)
InChIKeyGVQJQLXAGGRWIU-UHFFFAOYSA-N
XLogP2.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.66
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

3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 42947875
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 18204838
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5,5-diethylimidazolidine-2,4-dione
CID 18086988
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
(3aR,7aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51642300
5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
CID 31571826
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione (CID 18086989) is 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(O)COc2ccccc2C(C)C)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione?
The InChIKey is GVQJQLXAGGRWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-19(6-2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-8-7-9-15(16)13(3)4/h7-10,13-14,22H,5-6,11-12H2,1-4H3,(H,20,24).
What are the key properties of 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione has a molecular weight of 348.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18086989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).