[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H26N4O6 — CID 24981964

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C20H26N4O6/c1-5-20(6-2)18(28)24(19(29)23-20)11-16(26)30-12(3)17(27)22-15-9-7-14(8-10-15)21-13(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,21,25)(H,22,27)(H,23,29)
InChIKeyMCCZJOYQXCKZGO-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.63
Rot. Bonds8

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 24981964) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID24981964
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C20H26N4O6/c1-5-20(6-2)18(28)24(19(29)23-20)11-16(26)30-12(3)17(27)22-15-9-7-14(8-10-15)21-13(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,21,25)(H,22,27)(H,23,29)
InChIKeyMCCZJOYQXCKZGO-UHFFFAOYSA-N
XLogP1.63
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 24981964) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)C1=O.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is MCCZJOYQXCKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-5-20(6-2)18(28)24(19(29)23-20)11-16(26)30-12(3)17(27)22-15-9-7-14(8-10-15)21-13(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,21,25)(H,22,27)(H,23,29).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 418.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 24981964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).