3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C14H16N2O3 — CID 2386415

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)12(17)8-16-13(18)9-15(2)14(16)19/h4-7H,3,8-9H2,1-2H3
InChIKeyZQDYHDLMKDAYTN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.33
Rot. Bonds4

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 2386415) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
PubChem CID2386415
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)12(17)8-16-13(18)9-15(2)14(16)19/h4-7H,3,8-9H2,1-2H3
InChIKeyZQDYHDLMKDAYTN-UHFFFAOYSA-N
XLogP1.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 2386415) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is CCc1ccc(C(=O)CN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is ZQDYHDLMKDAYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-4-6-11(7-5-10)12(17)8-16-13(18)9-15(2)14(16)19/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2386415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).