2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C13H19N5O4 — CID 46992194

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C13H19N5O4/c1-17-7-9(6-14-17)8-18(3-4-22-2)11(19)5-10-12(20)16-13(21)15-10/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,20,21)
InChIKeyKTTIOOLWXGJGHS-UHFFFAOYSA-N
MW309.33 g/mol
LogP-1.01
Rot. Bonds7

About 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 46992194) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID46992194
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C13H19N5O4/c1-17-7-9(6-14-17)8-18(3-4-22-2)11(19)5-10-12(20)16-13(21)15-10/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,20,21)
InChIKeyKTTIOOLWXGJGHS-UHFFFAOYSA-N
XLogP-1.01
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 46992194) is 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is COCCN(Cc1cnn(C)c1)C(=O)CC1NC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KTTIOOLWXGJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-17-7-9(6-14-17)8-18(3-4-22-2)11(19)5-10-12(20)16-13(21)15-10/h6-7,10H,3-5,8H2,1-2H3,(H2,15,16,20,21).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 46992194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).