N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide

C8H14N4O2 — CID 138388887

IUPACN-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide
SMILES[H]/N=C1\NC(=O)N(C)C1CC(=O)NCC
InChIInChI=1S/C8H14N4O2/c1-3-10-6(13)4-5-7(9)11-8(14)12(5)2/h5H,3-4H2,1-2H3,(H,10,13)(H2,9,11,14)
InChIKeyYZXQUQYTZQVSCZ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.49
Rot. Bonds3

About N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide

N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide (PubChem CID 138388887) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide
PubChem CID138388887
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide
SMILES[H]/N=C1\NC(=O)N(C)C1CC(=O)NCC
InChIInChI=1S/C8H14N4O2/c1-3-10-6(13)4-5-7(9)11-8(14)12(5)2/h5H,3-4H2,1-2H3,(H,10,13)(H2,9,11,14)
InChIKeyYZXQUQYTZQVSCZ-UHFFFAOYSA-N
XLogP-0.49
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide (CID 138388887) is N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide is [H]/N=C1\NC(=O)N(C)C1CC(=O)NCC.
What is the InChIKey of N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide?
The InChIKey is YZXQUQYTZQVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-10-6(13)4-5-7(9)11-8(14)12(5)2/h5H,3-4H2,1-2H3,(H,10,13)(H2,9,11,14).
What are the key properties of N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide?
N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide has a molecular weight of 198.23 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 138388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).