(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione

C25H32N2O4 — CID 98678800

IUPAC(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
SMILESCCCC[C@]1(C)NC(=O)N(C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-4-5-15-25(3)23(29)27(24(30)26-25)16-21(28)17-31-22(19-9-7-6-8-10-19)20-13-11-18(2)12-14-20/h6-14,21-22,28H,4-5,15-17H2,1-3H3,(H,26,30)/t21-,22-,25+/m1/s1
InChIKeyUJRIHCYIWBPAOD-RQTOMXEWSA-N
MW424.54 g/mol
LogP3.96
Rot. Bonds10

About (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione

(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 98678800) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
PubChem CID98678800
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
SMILESCCCC[C@]1(C)NC(=O)N(C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-4-5-15-25(3)23(29)27(24(30)26-25)16-21(28)17-31-22(19-9-7-6-8-10-19)20-13-11-18(2)12-14-20/h6-14,21-22,28H,4-5,15-17H2,1-3H3,(H,26,30)/t21-,22-,25+/m1/s1
InChIKeyUJRIHCYIWBPAOD-RQTOMXEWSA-N
XLogP3.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.96
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-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
(5S)-5-butyl-3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972624
(5S)-5-butyl-3-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972628
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975
(3aS,7aS)-2-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129376735
5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
CID 31571826
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-heptyl-5-methylimidazolidine-2,4-dione
CID 18227148
3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16566048
2-[(2S)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]isoindole-1,3-dione
CID 31563617
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8603095

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione (CID 98678800) is (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione is CCCC[C@]1(C)NC(=O)N(C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1=O.
What is the InChIKey of (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UJRIHCYIWBPAOD-RQTOMXEWSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-5-15-25(3)23(29)27(24(30)26-25)16-21(28)17-31-22(19-9-7-6-8-10-19)20-13-11-18(2)12-14-20/h6-14,21-22,28H,4-5,15-17H2,1-3H3,(H,26,30)/t21-,22-,25+/m1/s1.
What are the key properties of (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 424.54 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 98678800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).