2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C13H23N3O5 — CID 107866565

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C13H23N3O5/c1-4-12(3)10(20)16(11(21)15-12)6-9(19)14-13(5-2,7-17)8-18/h17-18H,4-8H2,1-3H3,(H,14,19)(H,15,21)
InChIKeyWTHCZRFVYXGNFU-UHFFFAOYSA-N
MW301.34 g/mol
LogP-1.04
Rot. Bonds7

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 107866565) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID107866565
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C13H23N3O5/c1-4-12(3)10(20)16(11(21)15-12)6-9(19)14-13(5-2,7-17)8-18/h17-18H,4-8H2,1-3H3,(H,14,19)(H,15,21)
InChIKeyWTHCZRFVYXGNFU-UHFFFAOYSA-N
XLogP-1.04
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62522255
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 106289583
N-cyclopentyloxy-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 83236618
N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 107866565) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)CN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is WTHCZRFVYXGNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-4-12(3)10(20)16(11(21)15-12)6-9(19)14-13(5-2,7-17)8-18/h17-18H,4-8H2,1-3H3,(H,14,19)(H,15,21).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 301.34 g/mol, XLogP of -1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 107866565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).