ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate

C19H26N2O4 — CID 56556505

IUPACethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate
SMILESCCCc1ccc(C2(C)NC(=O)N(CCCC(=O)OCC)C2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-7-14-9-11-15(12-10-14)19(3)17(23)21(18(24)20-19)13-6-8-16(22)25-5-2/h9-12H,4-8,13H2,1-3H3,(H,20,24)
InChIKeyGYNBJFPDQOYQSD-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.75
Rot. Bonds8

About ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate

ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate (PubChem CID 56556505) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate
PubChem CID56556505
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate
SMILESCCCc1ccc(C2(C)NC(=O)N(CCCC(=O)OCC)C2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-7-14-9-11-15(12-10-14)19(3)17(23)21(18(24)20-19)13-6-8-16(22)25-5-2/h9-12H,4-8,13H2,1-3H3,(H,20,24)
InChIKeyGYNBJFPDQOYQSD-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.75
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-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46615775
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
3-[2-(2-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815465
4-[2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46815424
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 18285720
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815456
ethyl 2-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 75425550
ethyl 2-[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]acetate
CID 97320229

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate (CID 56556505) is ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate is CCCc1ccc(C2(C)NC(=O)N(CCCC(=O)OCC)C2=O)cc1.
What is the InChIKey of ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate?
The InChIKey is GYNBJFPDQOYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-7-14-9-11-15(12-10-14)19(3)17(23)21(18(24)20-19)13-6-8-16(22)25-5-2/h9-12H,4-8,13H2,1-3H3,(H,20,24).
What are the key properties of ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate?
ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate has a molecular weight of 346.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]butanoate is sourced from PubChem (CID 56556505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).