2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C13H23N3O4 — CID 62522255

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H23N3O4/c1-5-13(6-2,8-17)14-9(18)7-16-10(19)12(3,4)15-11(16)20/h17H,5-8H2,1-4H3,(H,14,18)(H,15,20)
InChIKeyFSDHNUJEAVPXLX-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.02
Rot. Bonds6

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62522255) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62522255
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H23N3O4/c1-5-13(6-2,8-17)14-9(18)7-16-10(19)12(3,4)15-11(16)20/h17H,5-8H2,1-4H3,(H,14,18)(H,15,20)
InChIKeyFSDHNUJEAVPXLX-UHFFFAOYSA-N
XLogP-0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866565
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500739
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518050
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62522255) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is FSDHNUJEAVPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-13(6-2,8-17)14-9(18)7-16-10(19)12(3,4)15-11(16)20/h17H,5-8H2,1-4H3,(H,14,18)(H,15,20).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 285.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62522255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).