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

C30H25N3O7 — CID 17362062

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

3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide (PubChem CID 17362062) has the molecular formula C30H25N3O7 and a molecular weight of 539.54 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
• PubChem CID: 17362062
• Molecular Formula: C30H25N3O7
• Molecular Weight: 539.54 g/mol
• Exact Mass: 539.17
• IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide
• SMILES: O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
• InChI: InChI=1S/C30H25N3O7/c34-26(12-13-32-27(35)22-8-1-2-9-23(22)28(32)36)31-18-5-3-6-19(15-18)40-20-10-11-24-25(16-20)30(38)33(29(24)37)17-21-7-4-14-39-21/h1-3,5-6,8-11,15-16,21H,4,7,12-14,17H2,(H,31,34)
• InChIKey: LMFMOCKJRWYXCQ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.54
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide (CID 17362062) is 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide.

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

The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1.

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

The InChIKey is LMFMOCKJRWYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O7/c34-26(12-13-32-27(35)22-8-1-2-9-23(22)28(32)36)31-18-5-3-6-19(15-18)40-20-10-11-24-25(16-20)30(38)33(29(24)37)17-21-7-4-14-39-21/h1-3,5-6,8-11,15-16,21H,4,7,12-14,17H2,(H,31,34).

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

3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide has a molecular weight of 539.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dioxoisoindol-2-yl)-N-[3-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]propanamide is sourced from PubChem (CID 17362062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).