1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C17H20N2O4 — CID 7975596

IUPAC1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1cc(C)c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9(2)19-16(22)15(21)18(17(19)23)8-13(20)14-11(4)6-10(3)7-12(14)5/h6-7,9H,8H2,1-5H3
InChIKeySNSCDYNSSDDRSB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 7975596) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID7975596
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1cc(C)c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-9(2)19-16(22)15(21)18(17(19)23)8-13(20)14-11(4)6-10(3)7-12(14)5/h6-7,9H,8H2,1-5H3
InChIKeySNSCDYNSSDDRSB-UHFFFAOYSA-N
XLogP1.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.99
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-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 7975596) is 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is Cc1cc(C)c(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)c(C)c1.
What is the InChIKey of 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is SNSCDYNSSDDRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9(2)19-16(22)15(21)18(17(19)23)8-13(20)14-11(4)6-10(3)7-12(14)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 316.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7975596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).