N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide

C44H56N6O11 — CID 162262675

About N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide (PubChem CID 162262675) has the molecular formula C44H56N6O11 and a molecular weight of 844.96 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
• PubChem CID: 162262675
• Molecular Formula: C44H56N6O11
• Molecular Weight: 844.96 g/mol
• Exact Mass: 844.40
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc4ccc5c(c4)[nH]c4ccncc45)c3C2=O)C(=O)N1
• InChI: InChI=1S/C44H56N6O11/c1-31-5-9-39(42(52)48-31)50-43(53)34-3-2-4-37(41(34)44(50)54)46-13-15-55-17-19-57-21-23-59-25-27-61-28-26-60-24-22-58-20-18-56-16-14-47-40(51)10-7-32-6-8-33-35-30-45-12-11-36(35)49-38(33)29-32/h2-4,6,8,11-12,29-30,39,46,49H,1,5,7,9-10,13-28H2,(H,47,51)(H,48,52)
• InChIKey: JOGAAPQXYPVNKM-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 200.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.96
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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 N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide (CID 162262675) is N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide is C=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc4ccc5c(c4)[nH]c4ccncc45)c3C2=O)C(=O)N1.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide?

The InChIKey is JOGAAPQXYPVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N6O11/c1-31-5-9-39(42(52)48-31)50-43(53)34-3-2-4-37(41(34)44(50)54)46-13-15-55-17-19-57-21-23-59-25-27-61-28-26-60-24-22-58-20-18-56-16-14-47-40(51)10-7-32-6-8-33-35-30-45-12-11-36(35)49-38(33)29-32/h2-4,6,8,11-12,29-30,39,46,49H,1,5,7,9-10,13-28H2,(H,47,51)(H,48,52).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide?

N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide has a molecular weight of 844.96 g/mol, XLogP of 3.38, 29 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide is sourced from PubChem (CID 162262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).