2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide

C11H16N4O5 — CID 9374526

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NC)C1=O
InChIInChI=1S/C11H16N4O5/c1-4-14-9(18)10(19)15(11(14)20)6-8(17)13(3)5-7(16)12-2/h4-6H2,1-3H3,(H,12,16)
InChIKeyRNXURSLBZUMWSY-UHFFFAOYSA-N
MW284.27 g/mol
LogP-2.00
Rot. Bonds5

About 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 9374526) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID9374526
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NC)C1=O
InChIInChI=1S/C11H16N4O5/c1-4-14-9(18)10(19)15(11(14)20)6-8(17)13(3)5-7(16)12-2/h4-6H2,1-3H3,(H,12,16)
InChIKeyRNXURSLBZUMWSY-UHFFFAOYSA-N
XLogP-2.00
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 9374526) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide is CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NC)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is RNXURSLBZUMWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-4-14-9(18)10(19)15(11(14)20)6-8(17)13(3)5-7(16)12-2/h4-6H2,1-3H3,(H,12,16).
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 284.27 g/mol, XLogP of -2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9374526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).