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

C18H23N3O4 — CID 2574652

IUPAC2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-11(2)9-20-16(23)17(24)21(18(20)25)10-15(22)19-14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)
InChIKeyBDBFFBJZAZLZCI-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.20
Rot. Bonds6

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

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2574652) 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-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2574652
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C18H23N3O4/c1-11(2)9-20-16(23)17(24)21(18(20)25)10-15(22)19-14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)
InChIKeyBDBFFBJZAZLZCI-UHFFFAOYSA-N
XLogP2.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.20
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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Related Compounds

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393
N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889077
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7557966
N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660284
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 113202039

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 2574652) is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is BDBFFBJZAZLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)9-20-16(23)17(24)21(18(20)25)10-15(22)19-14-7-5-13(6-8-14)12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,22).
What are the key properties of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.20, 6 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2574652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).