N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide

C20H14N2O4 — CID 832616

IUPACN-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O4/c23-18(12-26-15-10-9-13-5-1-2-6-14(13)11-15)21-22-19(24)16-7-3-4-8-17(16)20(22)25/h1-11H,12H2,(H,21,23)
InChIKeyXPCAUNREDMOYRQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.55
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide

N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 832616) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID832616
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O4/c23-18(12-26-15-10-9-13-5-1-2-6-14(13)11-15)21-22-19(24)16-7-3-4-8-17(16)20(22)25/h1-11H,12H2,(H,21,23)
InChIKeyXPCAUNREDMOYRQ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide (CID 832616) is N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is XPCAUNREDMOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-18(12-26-15-10-9-13-5-1-2-6-14(13)11-15)21-22-19(24)16-7-3-4-8-17(16)20(22)25/h1-11H,12H2,(H,21,23).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 346.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 832616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).