2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C15H22N6O5 — CID 91763070

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2C(=O)CNC2=O)C1
InChIInChI=1S/C15H22N6O5/c1-26-3-2-20-11(8-22)18-19-14(20)9-4-10(5-9)17-12(23)7-21-13(24)6-16-15(21)25/h9-10,22H,2-8H2,1H3,(H,16,25)(H,17,23)
InChIKeyBVOQZCVIZRPSJW-UHFFFAOYSA-N
MW366.38 g/mol
LogP-1.67
Rot. Bonds8

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91763070) has the molecular formula C15H22N6O5 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91763070
Molecular FormulaC15H22N6O5
Molecular Weight366.38 g/mol
Exact Mass366.17
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)CN2C(=O)CNC2=O)C1
InChIInChI=1S/C15H22N6O5/c1-26-3-2-20-11(8-22)18-19-14(20)9-4-10(5-9)17-12(23)7-21-13(24)6-16-15(21)25/h9-10,22H,2-8H2,1H3,(H,16,25)(H,17,23)
InChIKeyBVOQZCVIZRPSJW-UHFFFAOYSA-N
XLogP-1.67
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91763070) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is COCCn1c(CO)nnc1C1CC(NC(=O)CN2C(=O)CNC2=O)C1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is BVOQZCVIZRPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O5/c1-26-3-2-20-11(8-22)18-19-14(20)9-4-10(5-9)17-12(23)7-21-13(24)6-16-15(21)25/h9-10,22H,2-8H2,1H3,(H,16,25)(H,17,23).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of -1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91763070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).