methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate

C17H20N2O6 — CID 122154345

IUPACmethyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCON2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C17H20N2O6/c1-23-15(20)10-12-11-18(6-8-24-12)7-9-25-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-5,12H,6-11H2,1H3
InChIKeyXLMNMEOCFAGWJQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.48
Rot. Bonds6

About methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate (PubChem CID 122154345) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
PubChem CID122154345
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Namemethyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCON2C(=O)c3ccccc3C2=O)CCO1
InChIInChI=1S/C17H20N2O6/c1-23-15(20)10-12-11-18(6-8-24-12)7-9-25-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-5,12H,6-11H2,1H3
InChIKeyXLMNMEOCFAGWJQ-UHFFFAOYSA-N
XLogP0.48
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate (CID 122154345) is methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate is COC(=O)CC1CN(CCON2C(=O)c3ccccc3C2=O)CCO1.
What is the InChIKey of methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate?
The InChIKey is XLMNMEOCFAGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-23-15(20)10-12-11-18(6-8-24-12)7-9-25-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate has a molecular weight of 348.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate is sourced from PubChem (CID 122154345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).