2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide

C31H31N3O5 — CID 10625922

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide (PubChem CID 10625922) has the molecular formula C31H31N3O5 and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide
• PubChem CID: 10625922
• Molecular Formula: C31H31N3O5
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.23
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide
• SMILES: CC(C)=CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1OCC(=O)N(C)c1ccccc1
• InChI: InChI=1S/C31H31N3O5/c1-22(2)12-11-19-33(28(35)20-34-30(37)24-15-7-8-16-25(24)31(34)38)26-17-9-10-18-27(26)39-21-29(36)32(3)23-13-5-4-6-14-23/h4-10,12-18H,11,19-21H2,1-3H3
• InChIKey: VVALRDDUZZSMFS-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 87.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide (CID 10625922) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide.

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide is CC(C)=CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1OCC(=O)N(C)c1ccccc1.

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide?

The InChIKey is VVALRDDUZZSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O5/c1-22(2)12-11-19-33(28(35)20-34-30(37)24-15-7-8-16-25(24)31(34)38)26-17-9-10-18-27(26)39-21-29(36)32(3)23-13-5-4-6-14-23/h4-10,12-18H,11,19-21H2,1-3H3.

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide?

2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide has a molecular weight of 525.61 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[2-(N-methylanilino)-2-oxoethoxy]phenyl]-N-(4-methylpent-3-enyl)acetamide is sourced from PubChem (CID 10625922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).