[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate

C16H22N2O5 — CID 17308967

IUPAC[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)OCC(=O)c1ccco1
InChIInChI=1S/C16H22N2O5/c1-11-12(18-16(21)17-11)6-3-2-4-8-15(20)23-10-13(19)14-7-5-9-22-14/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H2,17,18,21)
InChIKeyUGMOCKITJRYHMZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.03
Rot. Bonds9

About [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate

[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate (PubChem CID 17308967) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
PubChem CID17308967
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
SMILESCC1NC(=O)NC1CCCCCC(=O)OCC(=O)c1ccco1
InChIInChI=1S/C16H22N2O5/c1-11-12(18-16(21)17-11)6-3-2-4-8-15(20)23-10-13(19)14-7-5-9-22-14/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H2,17,18,21)
InChIKeyUGMOCKITJRYHMZ-UHFFFAOYSA-N
XLogP2.03
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The IUPAC name of [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate (CID 17308967) is [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate.
What is the SMILES notation for [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The canonical SMILES for [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate is CC1NC(=O)NC1CCCCCC(=O)OCC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
The InChIKey is UGMOCKITJRYHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11-12(18-16(21)17-11)6-3-2-4-8-15(20)23-10-13(19)14-7-5-9-22-14/h5,7,9,11-12H,2-4,6,8,10H2,1H3,(H2,17,18,21).
What are the key properties of [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate?
[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate has a molecular weight of 322.36 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate is sourced from PubChem (CID 17308967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).