N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide

C46H53FN4O7 — CID 161441451

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide (PubChem CID 161441451) has the molecular formula C46H53FN4O7 and a molecular weight of 792.95 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide
• PubChem CID: 161441451
• Molecular Formula: C46H53FN4O7
• Molecular Weight: 792.95 g/mol
• Exact Mass: 792.39
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide
• SMILES: Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(OC5CC(Oc6ccc(C(=O)C[C@H]7CCC(=O)NC7=O)c(F)c6)C5)CC4)cc3)C2(C)C)cc(C)c1C#N
• InChI: InChI=1S/C46H53FN4O7/c1-26-19-33(20-27(2)37(26)25-48)58-44-45(3,4)43(46(44,5)6)50-41(54)28-7-10-30(11-8-28)51-17-15-31(16-18-51)56-34-22-35(23-34)57-32-12-13-36(38(47)24-32)39(52)21-29-9-14-40(53)49-42(29)55/h7-8,10-13,19-20,24,29,31,34-35,43-44H,9,14-18,21-23H2,1-6H3,(H,50,54)(H,49,53,55)/t29-,34?,35?,43?,44?/m1/s1
• InChIKey: VZIBKABNAWUQOE-JPJOINKKSA-N
• XLogP: 7.15
• TPSA: 147.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.95
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide (CID 161441451) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide is Cc1cc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(OC5CC(Oc6ccc(C(=O)C[C@H]7CCC(=O)NC7=O)c(F)c6)C5)CC4)cc3)C2(C)C)cc(C)c1C#N.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide?

The InChIKey is VZIBKABNAWUQOE-JPJOINKKSA-N. The full InChI is InChI=1S/C46H53FN4O7/c1-26-19-33(20-27(2)37(26)25-48)58-44-45(3,4)43(46(44,5)6)50-41(54)28-7-10-30(11-8-28)51-17-15-31(16-18-51)56-34-22-35(23-34)57-32-12-13-36(38(47)24-32)39(52)21-29-9-14-40(53)49-42(29)55/h7-8,10-13,19-20,24,29,31,34-35,43-44H,9,14-18,21-23H2,1-6H3,(H,50,54)(H,49,53,55)/t29-,34?,35?,43?,44?/m1/s1.

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide has a molecular weight of 792.95 g/mol, XLogP of 7.15, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-fluorophenoxy]cyclobutyl]oxypiperidin-1-yl]benzamide is sourced from PubChem (CID 161441451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).