5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione

C19H28N2O4 — CID 18275453

IUPAC5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(O)COc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O4/c1-3-4-5-9-12-19(2)17(23)21(18(24)20-19)13-15(22)14-25-16-10-7-6-8-11-16/h6-8,10-11,15,22H,3-5,9,12-14H2,1-2H3,(H,20,24)
InChIKeyDTJDWAOBEKUTGE-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.71
Rot. Bonds10

About 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione

5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione (PubChem CID 18275453) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
PubChem CID18275453
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(O)COc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O4/c1-3-4-5-9-12-19(2)17(23)21(18(24)20-19)13-15(22)14-25-16-10-7-6-8-11-16/h6-8,10-11,15,22H,3-5,9,12-14H2,1-2H3,(H,20,24)
InChIKeyDTJDWAOBEKUTGE-UHFFFAOYSA-N
XLogP2.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-heptyl-5-methylimidazolidine-2,4-dione
CID 18227148
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
CID 98678800
(5R)-5-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-5-methylimidazolidine-2,4-dione
CID 31570678
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
(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
1,3-bis(2-hydroxy-3-phenoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21236411
5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556194

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione (CID 18275453) is 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione is CCCCCCC1(C)NC(=O)N(CC(O)COc2ccccc2)C1=O.
What is the InChIKey of 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is DTJDWAOBEKUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-4-5-9-12-19(2)17(23)21(18(24)20-19)13-15(22)14-25-16-10-7-6-8-11-16/h6-8,10-11,15,22H,3-5,9,12-14H2,1-2H3,(H,20,24).
What are the key properties of 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione?
5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 348.44 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18275453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).