N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide

C20H14N2O3 — CID 3270477

IUPACN-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C20H14N2O3/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-14-8-9-16-17(11-14)20(25)22-19(16)24/h1-9,11H,10H2,(H,21,23)(H,22,24,25)
InChIKeyCCXQUMMYLDNTFF-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.90
Rot. Bonds3

About N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide

N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide (PubChem CID 3270477) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide
PubChem CID3270477
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C20H14N2O3/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-14-8-9-16-17(11-14)20(25)22-19(16)24/h1-9,11H,10H2,(H,21,23)(H,22,24,25)
InChIKeyCCXQUMMYLDNTFF-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide (CID 3270477) is N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is CCXQUMMYLDNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-14-8-9-16-17(11-14)20(25)22-19(16)24/h1-9,11H,10H2,(H,21,23)(H,22,24,25).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide?
N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 330.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3270477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).