1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C17H20N2O4 — CID 2574464

IUPAC1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCCc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C17H20N2O4/c1-4-12-5-7-13(8-6-12)14(20)10-19-16(22)15(21)18(17(19)23)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBSANZMWXSDDPJO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.88
Rot. Bonds6

About 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 2574464) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID2574464
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCCc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C17H20N2O4/c1-4-12-5-7-13(8-6-12)14(20)10-19-16(22)15(21)18(17(19)23)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBSANZMWXSDDPJO-UHFFFAOYSA-N
XLogP1.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 2574464) is 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is CCc1ccc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is BSANZMWXSDDPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-12-5-7-13(8-6-12)14(20)10-19-16(22)15(21)18(17(19)23)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 316.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2574464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).