3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione

C15H20N2O4 — CID 39972533

IUPAC3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cccc(C)c1OC[C@@H](O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C15H20N2O4/c1-10-5-4-6-11(2)14(10)21-9-12(18)7-17-13(19)8-16(3)15(17)20/h4-6,12,18H,7-9H2,1-3H3/t12-/m0/s1
InChIKeyJVTDKGYLFZWHEV-LBPRGKRZSA-N
MW292.34 g/mol
LogP0.94
Rot. Bonds5

About 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione

3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione (PubChem CID 39972533) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
PubChem CID39972533
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cccc(C)c1OC[C@@H](O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C15H20N2O4/c1-10-5-4-6-11(2)14(10)21-9-12(18)7-17-13(19)8-16(3)15(17)20/h4-6,12,18H,7-9H2,1-3H3/t12-/m0/s1
InChIKeyJVTDKGYLFZWHEV-LBPRGKRZSA-N
XLogP0.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one
CID 119049026
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535
(8aS)-2-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94784188
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797
2-[2-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 4580819
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
CID 43212312

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione (CID 39972533) is 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione is Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is JVTDKGYLFZWHEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-4-6-11(2)14(10)21-9-12(18)7-17-13(19)8-16(3)15(17)20/h4-6,12,18H,7-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 39972533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).