(2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C49H58FN5O9 — CID 171833647

About (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 171833647) has the molecular formula C49H58FN5O9 and a molecular weight of 880.03 g/mol. Its IUPAC name is (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• PubChem CID: 171833647
• Molecular Formula: C49H58FN5O9
• Molecular Weight: 880.03 g/mol
• Exact Mass: 879.42
• IUPAC Name: (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/C49H58FN5O9/c1-32(33-2-4-34(5-3-33)41-18-22-51-44-16-8-36(50)30-43(41)44)48(59)53-37-9-13-39(14-10-37)64-40-19-24-55(25-20-40)47(58)21-26-61-28-29-62-27-23-52-46(57)31-63-38-11-6-35(7-12-38)42-15-17-45(56)54-49(42)60/h6-14,16,18,22,30,32-34,40,42H,2-5,15,17,19-21,23-29,31H2,1H3,(H,52,57)(H,53,59)(H,54,56,60)/t32-,33?,34?,42?/m1/s1
• InChIKey: WRQDUSUTDAWNAN-VLHCCMSSSA-N
• XLogP: 6.43
• TPSA: 174.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.03
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The IUPAC name of (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 171833647) is (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

What is the SMILES notation for (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The canonical SMILES for (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The InChIKey is WRQDUSUTDAWNAN-VLHCCMSSSA-N. The full InChI is InChI=1S/C49H58FN5O9/c1-32(33-2-4-34(5-3-33)41-18-22-51-44-16-8-36(50)30-43(41)44)48(59)53-37-9-13-39(14-10-37)64-40-19-24-55(25-20-40)47(58)21-26-61-28-29-62-27-23-52-46(57)31-63-38-11-6-35(7-12-38)42-15-17-45(56)54-49(42)60/h6-14,16,18,22,30,32-34,40,42H,2-5,15,17,19-21,23-29,31H2,1H3,(H,52,57)(H,53,59)(H,54,56,60)/t32-,33?,34?,42?/m1/s1.

What are the key properties of (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

(2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 880.03 g/mol, XLogP of 6.43, 19 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[1-[3-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 171833647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).