N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide

C41H49N7O7 — CID 167080019

About N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide (PubChem CID 167080019) has the molecular formula C41H49N7O7 and a molecular weight of 751.88 g/mol. Its IUPAC name is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide.

Molecular Properties

• Compound Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide
• PubChem CID: 167080019
• Molecular Formula: C41H49N7O7
• Molecular Weight: 751.88 g/mol
• Exact Mass: 751.37
• IUPAC Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(CNC(=O)CCCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C41H49N7O7/c42-36-32(20-29(46-47-36)26-12-8-9-15-31(26)49)55-25-41-21-40(22-41,23-41)24-44-33(50)16-7-5-3-1-2-4-6-10-19-43-28-14-11-13-27-35(28)39(54)48(38(27)53)30-17-18-34(51)45-37(30)52/h8-9,11-15,20,30,43,49H,1-7,10,16-19,21-25H2,(H2,42,47)(H,44,50)(H,45,51,52)
• InChIKey: BABRROKGPUFBJG-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 205.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.88
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide?

The IUPAC name of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide (CID 167080019) is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide.

What is the SMILES notation for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide?

The canonical SMILES for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide is Nc1nnc(-c2ccccc2O)cc1OCC12CC(CNC(=O)CCCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

What is the InChIKey of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide?

The InChIKey is BABRROKGPUFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O7/c42-36-32(20-29(46-47-36)26-12-8-9-15-31(26)49)55-25-41-21-40(22-41,23-41)24-44-33(50)16-7-5-3-1-2-4-6-10-19-43-28-14-11-13-27-35(28)39(54)48(38(27)53)30-17-18-34(51)45-37(30)52/h8-9,11-15,20,30,43,49H,1-7,10,16-19,21-25H2,(H2,42,47)(H,44,50)(H,45,51,52).

What are the key properties of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide?

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide has a molecular weight of 751.88 g/mol, XLogP of 5.12, 19 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanamide is sourced from PubChem (CID 167080019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).