2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide

C18H23N3O4 — CID 2563851

IUPAC2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCCCc2ccccc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-13(2)11-20-16(23)17(24)21(18(20)25)12-15(22)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,22)
InChIKeyIAQUQURTZYWIKQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.18
Rot. Bonds8

About 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 2563851) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID2563851
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCCCc2ccccc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-13(2)11-20-16(23)17(24)21(18(20)25)12-15(22)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,22)
InChIKeyIAQUQURTZYWIKQ-UHFFFAOYSA-N
XLogP1.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide 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 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide (CID 2563851) is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NCCCc2ccccc2)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is IAQUQURTZYWIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(2)11-20-16(23)17(24)21(18(20)25)12-15(22)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2563851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).