N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide

C29H43N7O9 — CID 156528533

About N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide (PubChem CID 156528533) has the molecular formula C29H43N7O9 and a molecular weight of 633.70 g/mol. Its IUPAC name is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide
• PubChem CID: 156528533
• Molecular Formula: C29H43N7O9
• Molecular Weight: 633.70 g/mol
• Exact Mass: 633.31
• IUPAC Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide
• SMILES: CC1CNCCN1C(=O)CNc1ccc2c(c1OCC(=O)NCCOCCOCCOCN)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C29H43N7O9/c1-19-14-31-6-8-35(19)25(39)15-33-21-3-2-20-16-36(22-4-5-23(37)34-28(22)40)29(41)26(20)27(21)45-17-24(38)32-7-9-42-10-11-43-12-13-44-18-30/h2-3,19,22,31,33H,4-18,30H2,1H3,(H,32,38)(H,34,37,40)
• InChIKey: XBZRZBQMJVXMQA-UHFFFAOYSA-N
• XLogP: -1.86
• TPSA: 202.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.70
LogP ≤ 5	-1.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide?

The IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide (CID 156528533) is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide.

What is the SMILES notation for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide?

The canonical SMILES for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide is CC1CNCCN1C(=O)CNc1ccc2c(c1OCC(=O)NCCOCCOCCOCN)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide?

The InChIKey is XBZRZBQMJVXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O9/c1-19-14-31-6-8-35(19)25(39)15-33-21-3-2-20-16-36(22-4-5-23(37)34-28(22)40)29(41)26(20)27(21)45-17-24(38)32-7-9-42-10-11-43-12-13-44-18-30/h2-3,19,22,31,33H,4-18,30H2,1H3,(H,32,38)(H,34,37,40).

What are the key properties of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide?

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide has a molecular weight of 633.70 g/mol, XLogP of -1.86, 17 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-5-[[2-(2-methylpiperazin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-4-yl]oxy]acetamide is sourced from PubChem (CID 156528533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).