3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C23H28N2O5 — CID 55409939

IUPAC3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(O)COc2cc(C)ccc2C)C1=O
InChIInChI=1S/C23H28N2O5/c1-5-23(17-8-10-19(29-4)11-9-17)21(27)25(22(28)24-23)13-18(26)14-30-20-12-15(2)6-7-16(20)3/h6-12,18,26H,5,13-14H2,1-4H3,(H,24,28)
InChIKeyDSHVYOZTYAKYOR-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.91
Rot. Bonds8

About 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 55409939) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID55409939
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(O)COc2cc(C)ccc2C)C1=O
InChIInChI=1S/C23H28N2O5/c1-5-23(17-8-10-19(29-4)11-9-17)21(27)25(22(28)24-23)13-18(26)14-30-20-12-15(2)6-7-16(20)3/h6-12,18,26H,5,13-14H2,1-4H3,(H,24,28)
InChIKeyDSHVYOZTYAKYOR-UHFFFAOYSA-N
XLogP2.91
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
(5R)-5-ethyl-3-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 26011684
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 46667091
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 55409939) is 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CCC1(c2ccc(OC)cc2)NC(=O)N(CC(O)COc2cc(C)ccc2C)C1=O.
What is the InChIKey of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is DSHVYOZTYAKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-23(17-8-10-19(29-4)11-9-17)21(27)25(22(28)24-23)13-18(26)14-30-20-12-15(2)6-7-16(20)3/h6-12,18,26H,5,13-14H2,1-4H3,(H,24,28).
What are the key properties of 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 55409939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).