2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C22H20N2O7 — CID 2232828

IUPAC2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC)C4=O)cc2C1=O
InChIInChI=1S/C22H20N2O7/c1-29-9-7-23-19(25)15-5-3-13(11-17(15)21(23)27)31-14-4-6-16-18(12-14)22(28)24(20(16)26)8-10-30-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYAMCZLOYUSWRTG-UHFFFAOYSA-N
MW424.41 g/mol
LogP1.96
Rot. Bonds8

About 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 2232828) has the molecular formula C22H20N2O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID2232828
Molecular FormulaC22H20N2O7
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCOCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC)C4=O)cc2C1=O
InChIInChI=1S/C22H20N2O7/c1-29-9-7-23-19(25)15-5-3-13(11-17(15)21(23)27)31-14-4-6-16-18(12-14)22(28)24(20(16)26)8-10-30-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYAMCZLOYUSWRTG-UHFFFAOYSA-N
XLogP1.96
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17359550
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
5-(2,2-dimethylpropylamino)-2-(2-methoxyethyl)isoindole-1,3-dione
CID 20785761
5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)oxy-2-[2-[2-[[5-(1,3-dioxo-2-pyrimidin-2-ylisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]methoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155606493
5-methoxy-2-(3-oxobutyl)isoindole-1,3-dione
CID 117031904
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
CID 90278435
2-(5-ethoxy-1,3-dioxoisoindol-2-yl)ethyl nitrate
CID 70470146
5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
CID 8545276
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 2232828) is 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is COCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC)C4=O)cc2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is YAMCZLOYUSWRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7/c1-29-9-7-23-19(25)15-5-3-13(11-17(15)21(23)27)31-14-4-6-16-18(12-14)22(28)24(20(16)26)8-10-30-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 424.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 2232828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).