N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C16H22FN3O4 — CID 24761159

IUPACN-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCOC(CNC(=O)CN1CCN(Cc2ccccc2F)C1=O)OC
InChIInChI=1S/C16H22FN3O4/c1-23-15(24-2)9-18-14(21)11-20-8-7-19(16(20)22)10-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3,(H,18,21)
InChIKeyXKMWMHIISHQMBX-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.80
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 24761159) has the molecular formula C16H22FN3O4 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID24761159
Molecular FormulaC16H22FN3O4
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCOC(CNC(=O)CN1CCN(Cc2ccccc2F)C1=O)OC
InChIInChI=1S/C16H22FN3O4/c1-23-15(24-2)9-18-14(21)11-20-8-7-19(16(20)22)10-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3,(H,18,21)
InChIKeyXKMWMHIISHQMBX-UHFFFAOYSA-N
XLogP0.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 24761159) is N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is COC(CNC(=O)CN1CCN(Cc2ccccc2F)C1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is XKMWMHIISHQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4/c1-23-15(24-2)9-18-14(21)11-20-8-7-19(16(20)22)10-12-5-3-4-6-13(12)17/h3-6,15H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24761159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).