[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate

C18H24N2O4 — CID 78894801

IUPAC[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCCC(C)(C)c1ccc(OC(=O)CCCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-4-18(2,3)13-7-9-14(10-8-13)24-16(22)6-5-11-20-15(21)12-19-17(20)23/h7-10H,4-6,11-12H2,1-3H3,(H,19,23)
InChIKeyCHFFFPHUFBOVIA-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.61
Rot. Bonds7

About [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate

[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 78894801) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID78894801
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCCC(C)(C)c1ccc(OC(=O)CCCN2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-4-18(2,3)13-7-9-14(10-8-13)24-16(22)6-5-11-20-15(21)12-19-17(20)23/h7-10H,4-6,11-12H2,1-3H3,(H,19,23)
InChIKeyCHFFFPHUFBOVIA-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate (CID 78894801) is [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate is CCC(C)(C)c1ccc(OC(=O)CCCN2C(=O)CNC2=O)cc1.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is CHFFFPHUFBOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-18(2,3)13-7-9-14(10-8-13)24-16(22)6-5-11-20-15(21)12-19-17(20)23/h7-10H,4-6,11-12H2,1-3H3,(H,19,23).
What are the key properties of [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
[4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 332.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 78894801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).