N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C11H17N3O5 — CID 9375273

IUPACN-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H17N3O5/c1-7(2)14-10(17)9(16)13(11(14)18)6-8(15)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOOQPAQRPULMOBZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.05
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 9375273) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID9375273
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC NameN-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H17N3O5/c1-7(2)14-10(17)9(16)13(11(14)18)6-8(15)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyOOQPAQRPULMOBZ-UHFFFAOYSA-N
XLogP-1.05
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 9375273) is N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is COCCNC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is OOQPAQRPULMOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-7(2)14-10(17)9(16)13(11(14)18)6-8(15)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 271.27 g/mol, XLogP of -1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9375273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).