2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide

C14H21N3O4 — CID 2573047

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-9(2)7-15-11(18)8-16-12(19)13(20)17(14(16)21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyZWZVFZNCHSVBGS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.49
Rot. Bonds5

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 2573047) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID2573047
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-9(2)7-15-11(18)8-16-12(19)13(20)17(14(16)21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyZWZVFZNCHSVBGS-UHFFFAOYSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
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 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide (CID 2573047) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ZWZVFZNCHSVBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)7-15-11(18)8-16-12(19)13(20)17(14(16)21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).