(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate

C23H17NO5 — CID 19132649

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO5/c25-20(17-10-9-15-5-1-2-6-16(15)13-17)14-29-21(26)11-12-24-22(27)18-7-3-4-8-19(18)23(24)28/h1-10,13H,11-12,14H2
InChIKeyPJFZPQILBKGTNL-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.25
Rot. Bonds6

About (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate

(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 19132649) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID19132649
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO5/c25-20(17-10-9-15-5-1-2-6-16(15)13-17)14-29-21(26)11-12-24-22(27)18-7-3-4-8-19(18)23(24)28/h1-10,13H,11-12,14H2
InChIKeyPJFZPQILBKGTNL-UHFFFAOYSA-N
XLogP3.25
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[3-(1,3-dioxoisoindol-2-yl)propanoyloxy]acetyl]phenyl] furan-2-carboxylate
CID 3989332
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46804911
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2114618
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495394
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7351064
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 92518550
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46606388
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8675806
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8675803
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate (CID 19132649) is (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate is O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is PJFZPQILBKGTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c25-20(17-10-9-15-5-1-2-6-16(15)13-17)14-29-21(26)11-12-24-22(27)18-7-3-4-8-19(18)23(24)28/h1-10,13H,11-12,14H2.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 387.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 19132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).