[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

C30H18N2O8 — CID 5194640

IUPAC[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2c(OC(=O)CN3C(=O)c4ccccc4C3=O)cccc12
InChIInChI=1S/C30H18N2O8/c33-25(15-31-27(35)19-7-1-2-8-20(19)28(31)36)39-23-13-5-12-18-17(23)11-6-14-24(18)40-26(34)16-32-29(37)21-9-3-4-10-22(21)30(32)38/h1-14H,15-16H2
InChIKeyUJPIUCHYPBIDHX-UHFFFAOYSA-N
MW534.48 g/mol
LogP3.24
Rot. Bonds6

About [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 5194640) has the molecular formula C30H18N2O8 and a molecular weight of 534.48 g/mol. Its IUPAC name is [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID5194640
Molecular FormulaC30H18N2O8
Molecular Weight534.48 g/mol
Exact Mass534.11
IUPAC Name[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2c(OC(=O)CN3C(=O)c4ccccc4C3=O)cccc12
InChIInChI=1S/C30H18N2O8/c33-25(15-31-27(35)19-7-1-2-8-20(19)28(31)36)39-23-13-5-12-18-17(23)11-6-14-24(18)40-26(34)16-32-29(37)21-9-3-4-10-22(21)30(32)38/h1-14H,15-16H2
InChIKeyUJPIUCHYPBIDHX-UHFFFAOYSA-N
XLogP3.24
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7901050
(2,4,6-trimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8915391
(4-chloro-2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8914024
triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 16684771
(2-tert-butyl-4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 1180206
ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxy-1,2-dimethylindole-3-carboxylate
CID 1251193
(2-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670277
(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670967
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359
2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951334

Frequently Asked Questions

What is the IUPAC name of [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 5194640) is [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)Oc1cccc2c(OC(=O)CN3C(=O)c4ccccc4C3=O)cccc12.
What is the InChIKey of [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is UJPIUCHYPBIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O8/c33-25(15-31-27(35)19-7-1-2-8-20(19)28(31)36)39-23-13-5-12-18-17(23)11-6-14-24(18)40-26(34)16-32-29(37)21-9-3-4-10-22(21)30(32)38/h1-14H,15-16H2.
What are the key properties of [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 534.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 5194640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).