3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide

C38H39N5O11 — CID 167117364

About 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide

3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide (PubChem CID 167117364) has the molecular formula C38H39N5O11 and a molecular weight of 741.75 g/mol. Its IUPAC name is 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide
• PubChem CID: 167117364
• Molecular Formula: C38H39N5O11
• Molecular Weight: 741.75 g/mol
• Exact Mass: 741.26
• IUPAC Name: 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide
• SMILES: CCOc1cc(CN2C(=O)c3cccc(NC(=O)CCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3C2=O)ccc1OC
• InChI: InChI=1S/C38H39N5O11/c1-3-54-29-20-22(10-12-28(29)51-2)21-42-35(47)23-6-5-9-26(33(23)37(42)49)40-31(45)14-16-52-18-19-53-17-15-39-25-8-4-7-24-32(25)38(50)43(36(24)48)27-11-13-30(44)41-34(27)46/h4-10,12,20,27,39H,3,11,13-19,21H2,1-2H3,(H,40,45)(H,41,44,46)
• InChIKey: AJMIZVHUUSLRPV-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 198.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.75
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide?

The IUPAC name of 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide (CID 167117364) is 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide.

What is the SMILES notation for 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide?

The canonical SMILES for 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide is CCOc1cc(CN2C(=O)c3cccc(NC(=O)CCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3C2=O)ccc1OC.

What is the InChIKey of 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide?

The InChIKey is AJMIZVHUUSLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N5O11/c1-3-54-29-20-22(10-12-28(29)51-2)21-42-35(47)23-6-5-9-26(33(23)37(42)49)40-31(45)14-16-52-18-19-53-17-15-39-25-8-4-7-24-32(25)38(50)43(36(24)48)27-11-13-30(44)41-34(27)46/h4-10,12,20,27,39H,3,11,13-19,21H2,1-2H3,(H,40,45)(H,41,44,46).

What are the key properties of 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide?

3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide has a molecular weight of 741.75 g/mol, XLogP of 2.77, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-[2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]propanamide is sourced from PubChem (CID 167117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).