2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide

C13H23N3O3 — CID 16568359

IUPAC2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)5-6-14-10(17)7-16-12(18)11(9(3)4)15-13(16)19/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,15,19)
InChIKeyKFDKYUJKFLAJOD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds6

About 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide

2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 16568359) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID16568359
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)5-6-14-10(17)7-16-12(18)11(9(3)4)15-13(16)19/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,15,19)
InChIKeyKFDKYUJKFLAJOD-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097267
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylbutyl)acetamide
CID 98307452
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157190
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18225476
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 18143143
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide (CID 16568359) is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1C(=O)NC(C(C)C)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is KFDKYUJKFLAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)5-6-14-10(17)7-16-12(18)11(9(3)4)15-13(16)19/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,15,19).
What are the key properties of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 16568359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).