2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide

C13H23N3O4 — CID 107319254

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCCCCCO)C1=O
InChIInChI=1S/C13H23N3O4/c1-3-13(2)11(19)16(12(20)15-13)9-10(18)14-7-5-4-6-8-17/h17H,3-9H2,1-2H3,(H,14,18)(H,15,20)
InChIKeyINOHOQSTRRTLDU-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.01
Rot. Bonds8

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide (PubChem CID 107319254) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
PubChem CID107319254
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCCCCCO)C1=O
InChIInChI=1S/C13H23N3O4/c1-3-13(2)11(19)16(12(20)15-13)9-10(18)14-7-5-4-6-8-17/h17H,3-9H2,1-2H3,(H,14,18)(H,15,20)
InChIKeyINOHOQSTRRTLDU-UHFFFAOYSA-N
XLogP-0.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide (CID 107319254) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide is CCC1(C)NC(=O)N(CC(=O)NCCCCCO)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide?
The InChIKey is INOHOQSTRRTLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-13(2)11(19)16(12(20)15-13)9-10(18)14-7-5-4-6-8-17/h17H,3-9H2,1-2H3,(H,14,18)(H,15,20).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107319254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).