2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate

C30H24N2O10 — CID 5210469

IUPAC2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(CCOC(C)=O)C5=O)cc3)cc2C1=O
InChIInChI=1S/C30H24N2O10/c1-17(33)39-13-11-31-27(35)23-9-7-21(15-25(23)29(31)37)41-19-3-5-20(6-4-19)42-22-8-10-24-26(16-22)30(38)32(28(24)36)12-14-40-18(2)34/h3-10,15-16H,11-14H2,1-2H3
InChIKeyWYECGCBLZKAMQB-UHFFFAOYSA-N
MW572.53 g/mol
LogP3.59
Rot. Bonds10

About 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate

2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate (PubChem CID 5210469) has the molecular formula C30H24N2O10 and a molecular weight of 572.53 g/mol. Its IUPAC name is 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
PubChem CID5210469
Molecular FormulaC30H24N2O10
Molecular Weight572.53 g/mol
Exact Mass572.14
IUPAC Name2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
SMILESCC(=O)OCCN1C(=O)c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(CCOC(C)=O)C5=O)cc3)cc2C1=O
InChIInChI=1S/C30H24N2O10/c1-17(33)39-13-11-31-27(35)23-9-7-21(15-25(23)29(31)37)41-19-3-5-20(6-4-19)42-22-8-10-24-26(16-22)30(38)32(28(24)36)12-14-40-18(2)34/h3-10,15-16H,11-14H2,1-2H3
InChIKeyWYECGCBLZKAMQB-UHFFFAOYSA-N
XLogP3.59
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propyl acetate
CID 2264146
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
2-(2-methoxyethyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17359550
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
5-methoxy-2-(3-oxobutyl)isoindole-1,3-dione
CID 117031904
ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
CID 66712997
5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
CID 8545276
6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
CID 90278435
3-[4-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]benzoate
CID 4081510
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
ethyl 2,2-bis[1,3-dioxo-5-(4-propoxyphenoxy)isoindol-2-yl]acetate
CID 67111404

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate?
The IUPAC name of 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate (CID 5210469) is 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate.
What is the SMILES notation for 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate?
The canonical SMILES for 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate is CC(=O)OCCN1C(=O)c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(CCOC(C)=O)C5=O)cc3)cc2C1=O.
What is the InChIKey of 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate?
The InChIKey is WYECGCBLZKAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O10/c1-17(33)39-13-11-31-27(35)23-9-7-21(15-25(23)29(31)37)41-19-3-5-20(6-4-19)42-22-8-10-24-26(16-22)30(38)32(28(24)36)12-14-40-18(2)34/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate?
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate has a molecular weight of 572.53 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate is sourced from PubChem (CID 5210469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).