(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C18H26N2O4 — CID 31570523

IUPAC(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1
InChIInChI=1S/C18H26N2O4/c1-4-13-5-7-15(8-6-13)24-11-14(21)10-20-17(22)16(9-12(2)3)19-18(20)23/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,23)/t14-,16-/m0/s1
InChIKeySQOBXLLBHYRBEK-HOCLYGCPSA-N
MW334.42 g/mol
LogP1.96
Rot. Bonds8

About (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 31570523) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID31570523
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1
InChIInChI=1S/C18H26N2O4/c1-4-13-5-7-15(8-6-13)24-11-14(21)10-20-17(22)16(9-12(2)3)19-18(20)23/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,23)/t14-,16-/m0/s1
InChIKeySQOBXLLBHYRBEK-HOCLYGCPSA-N
XLogP1.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.96
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

(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
(5S)-3-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570548
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51222984
(5R)-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570355
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18087043
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
(5S)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-prop-2-ynylimidazolidine-2,4-dione
CID 100632219
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
CID 42942556
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 42952066
N-(4-ethylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4877686
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 31570523) is (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1.
What is the InChIKey of (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is SQOBXLLBHYRBEK-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-13-5-7-15(8-6-13)24-11-14(21)10-20-17(22)16(9-12(2)3)19-18(20)23/h5-8,12,14,16,21H,4,9-11H2,1-3H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 334.42 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 31570523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).