[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H27N3O5 — CID 24982257

IUPAC[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC(C)c1ccccc1NC(=O)C(C)OC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H27N3O5/c1-6-12(2)14-9-7-8-10-15(14)21-17(25)13(3)28-16(24)11-23-18(26)20(4,5)22-19(23)27/h7-10,12-13H,6,11H2,1-5H3,(H,21,25)(H,22,27)
InChIKeyDABWJWXAHYLIFD-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.40
Rot. Bonds7

About [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 24982257) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID24982257
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC(C)c1ccccc1NC(=O)C(C)OC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C20H27N3O5/c1-6-12(2)14-9-7-8-10-15(14)21-17(25)13(3)28-16(24)11-23-18(26)20(4,5)22-19(23)27/h7-10,12-13H,6,11H2,1-5H3,(H,21,25)(H,22,27)
InChIKeyDABWJWXAHYLIFD-UHFFFAOYSA-N
XLogP2.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 24982257) is [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC(C)c1ccccc1NC(=O)C(C)OC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DABWJWXAHYLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-6-12(2)14-9-7-8-10-15(14)21-17(25)13(3)28-16(24)11-23-18(26)20(4,5)22-19(23)27/h7-10,12-13H,6,11H2,1-5H3,(H,21,25)(H,22,27).
What are the key properties of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 389.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 24982257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).