(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione

C16H22N2O4 — CID 94389630

IUPAC(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-9-16(2)14(20)18(15(21)17-16)10-12(19)11-22-13-7-5-4-6-8-13/h4-8,12,19H,3,9-11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1
InChIKeyKZFDBIAKFPREJT-MLGOLLRUSA-N
MW306.36 g/mol
LogP1.54
Rot. Bonds7

About (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione

(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione (PubChem CID 94389630) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
PubChem CID94389630
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-9-16(2)14(20)18(15(21)17-16)10-12(19)11-22-13-7-5-4-6-8-13/h4-8,12,19H,3,9-11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1
InChIKeyKZFDBIAKFPREJT-MLGOLLRUSA-N
XLogP1.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.54
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

5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
(5R)-5-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-5-methylimidazolidine-2,4-dione
CID 31570678
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
methyl 4-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 18125644
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94817997
(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
CID 98678800
ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 24562492
1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21236411
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione (CID 94389630) is (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione?
The InChIKey is KZFDBIAKFPREJT-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-9-16(2)14(20)18(15(21)17-16)10-12(19)11-22-13-7-5-4-6-8-13/h4-8,12,19H,3,9-11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1.
What are the key properties of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione?
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione has a molecular weight of 306.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 94389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).