(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate

C22H17NO5 — CID 142436804

IUPAC(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C22H17NO5/c1-13(14-7-8-16-12-17(27-2)10-9-15(16)11-14)22(26)28-23-20(24)18-5-3-4-6-19(18)21(23)25/h3-13H,1-2H3
InChIKeyXLVDRJSPJVBJAH-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.71
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate

(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 142436804) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID142436804
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C22H17NO5/c1-13(14-7-8-16-12-17(27-2)10-9-15(16)11-14)22(26)28-23-20(24)18-5-3-4-6-19(18)21(23)25/h3-13H,1-2H3
InChIKeyXLVDRJSPJVBJAH-UHFFFAOYSA-N
XLogP3.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate (CID 142436804) is (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is XLVDRJSPJVBJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-13(14-7-8-16-12-17(27-2)10-9-15(16)11-14)22(26)28-23-20(24)18-5-3-4-6-19(18)21(23)25/h3-13H,1-2H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate?
(1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 375.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 142436804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).