3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide

C30H37N7O7 — CID 174041531

About 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide

3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide (PubChem CID 174041531) has the molecular formula C30H37N7O7 and a molecular weight of 607.67 g/mol. Its IUPAC name is 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide
• PubChem CID: 174041531
• Molecular Formula: C30H37N7O7
• Molecular Weight: 607.67 g/mol
• Exact Mass: 607.28
• IUPAC Name: 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide
• SMILES: NN=C(/C=N/CCOCCOCCOCCC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(N)cc1
• InChI: InChI=1S/C30H37N7O7/c31-22-3-1-20(2-4-22)25(36-32)18-33-10-12-43-14-16-44-15-13-42-11-9-28(39)34-23-5-6-24-21(17-23)19-37(30(24)41)26-7-8-27(38)35-29(26)40/h1-6,17-18,26H,7-16,19,31-32H2,(H,34,39)(H,35,38,40)/b33-18+,36-25?
• InChIKey: ZZFUMDRUCOGWJZ-YRCHRLFDSA-N
• XLogP: 0.84
• TPSA: 200.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.67
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide?

The IUPAC name of 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide (CID 174041531) is 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide.

What is the SMILES notation for 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide?

The canonical SMILES for 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide is NN=C(/C=N/CCOCCOCCOCCC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(N)cc1.

What is the InChIKey of 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide?

The InChIKey is ZZFUMDRUCOGWJZ-YRCHRLFDSA-N. The full InChI is InChI=1S/C30H37N7O7/c31-22-3-1-20(2-4-22)25(36-32)18-33-10-12-43-14-16-44-15-13-42-11-9-28(39)34-23-5-6-24-21(17-23)19-37(30(24)41)26-7-8-27(38)35-29(26)40/h1-6,17-18,26H,7-16,19,31-32H2,(H,34,39)(H,35,38,40)/b33-18+,36-25?.

What are the key properties of 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide?

3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide has a molecular weight of 607.67 g/mol, XLogP of 0.84, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[[2-(4-aminophenyl)-2-hydrazinylideneethylidene]amino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide is sourced from PubChem (CID 174041531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).