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

C13H21N3O4 — CID 2574518

IUPACN-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C13H21N3O4/c1-8(2)5-14-10(17)7-16-12(19)11(18)15(13(16)20)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyFEJTXVFEUAHDTR-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds6

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

N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2574518) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2574518
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C13H21N3O4/c1-8(2)5-14-10(17)7-16-12(19)11(18)15(13(16)20)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyFEJTXVFEUAHDTR-UHFFFAOYSA-N
XLogP0.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
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

N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574488
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
N-cyclopropyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574718
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 2574523
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889066
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7557966
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574753
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8888905

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2574518) is N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is FEJTXVFEUAHDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8(2)5-14-10(17)7-16-12(19)11(18)15(13(16)20)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2574518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).