ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C14H16N2O4 — CID 2228401

IUPACethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)9-16-12(17)8-15(14(16)19)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyHFRWZXDARHYIAF-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 2228401) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID2228401
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)9-16-12(17)8-15(14(16)19)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyHFRWZXDARHYIAF-UHFFFAOYSA-N
XLogP1.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
Ethyl 2-(2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)acetate
CID 3155753
[3-(4-Methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 3426586
(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione
CID 5961114
Ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 2767604
1-P-Tolyl-imidazolidine-2,4-dione
CID 759335
Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
(3-Butoxycarbonylmethyl-6-methyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-acetic acid butyl ester
CID 1900387
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
(5Z)-3-(4-methylbenzyl)-5-(4-morpholin-4-ylbenzylidene)imidazolidine-2,4-dione
CID 6370397
N-(4-methylphenyl)-2-[(4E)-4-(4-morpholin-4-ylbenzylidene)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326499
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 16009058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 2228401) is ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)CN(c2ccc(C)cc2)C1=O.
What is the InChIKey of ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is HFRWZXDARHYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13(18)9-16-12(17)8-15(14(16)19)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 276.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 2228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).