N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C21H29N3O4 — CID 2660949

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O
InChIInChI=1S/C21H29N3O4/c1-12(2)10-23-19(26)20(27)24(21(23)28)11-17(25)22-18-15(13(3)4)8-7-9-16(18)14(5)6/h7-9,12-14H,10-11H2,1-6H3,(H,22,25)
InChIKeyZVZNCULUSHDQIL-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.32
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2660949) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2660949
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O
InChIInChI=1S/C21H29N3O4/c1-12(2)10-23-19(26)20(27)24(21(23)28)11-17(25)22-18-15(13(3)4)8-7-9-16(18)14(5)6/h7-9,12-14H,10-11H2,1-6H3,(H,22,25)
InChIKeyZVZNCULUSHDQIL-UHFFFAOYSA-N
XLogP3.32
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.32
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-[2,6-di(propan-2-yl)phenyl]-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799973
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660284
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889077
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888782
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 7558012
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2660949) is N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZVZNCULUSHDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-12(2)10-23-19(26)20(27)24(21(23)28)11-17(25)22-18-15(13(3)4)8-7-9-16(18)14(5)6/h7-9,12-14H,10-11H2,1-6H3,(H,22,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).