N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C12H19N3O5 — CID 2574488

IUPACN-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C12H19N3O5/c1-8(2)6-14-10(17)11(18)15(12(14)19)7-9(16)13-4-5-20-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyIXRVHGAXEOUSGS-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.80
Rot. Bonds7

About N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2574488) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2574488
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C12H19N3O5/c1-8(2)6-14-10(17)11(18)15(12(14)19)7-9(16)13-4-5-20-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyIXRVHGAXEOUSGS-UHFFFAOYSA-N
XLogP-0.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.80
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-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2574488) is N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COCCNC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is IXRVHGAXEOUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8(2)6-14-10(17)11(18)15(12(14)19)7-9(16)13-4-5-20-3/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 285.30 g/mol, XLogP of -0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2574488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).