N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide

C31H26N2O6 — CID 17362007

About N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide

N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 17362007) has the molecular formula C31H26N2O6 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

• Compound Name: N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide
• PubChem CID: 17362007
• Molecular Formula: C31H26N2O6
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.18
• IUPAC Name: N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide
• SMILES: O=C(COc1cccc2ccccc12)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
• InChI: InChI=1S/C31H26N2O6/c34-29(19-38-28-12-3-7-20-6-1-2-11-25(20)28)32-21-8-4-9-22(16-21)39-23-13-14-26-27(17-23)31(36)33(30(26)35)18-24-10-5-15-37-24/h1-4,6-9,11-14,16-17,24H,5,10,15,18-19H2,(H,32,34)
• InChIKey: CPRDTEJPOFEPPE-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide?

The IUPAC name of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide (CID 17362007) is N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide.

What is the SMILES notation for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide?

The canonical SMILES for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1.

What is the InChIKey of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide?

The InChIKey is CPRDTEJPOFEPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O6/c34-29(19-38-28-12-3-7-20-6-1-2-11-25(20)28)32-21-8-4-9-22(16-21)39-23-13-14-26-27(17-23)31(36)33(30(26)35)18-24-10-5-15-37-24/h1-4,6-9,11-14,16-17,24H,5,10,15,18-19H2,(H,32,34).

What are the key properties of N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide?

N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 522.56 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 17362007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).