N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide

C147H176F3N11O19 — CID 157390445

About N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide

N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide (PubChem CID 157390445) has the molecular formula C147H176F3N11O19 and a molecular weight of 2458.08 g/mol. Its IUPAC name is N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide
• PubChem CID: 157390445
• Molecular Formula: C147H176F3N11O19
• Molecular Weight: 2458.08 g/mol
• Exact Mass: 2456.31
• IUPAC Name: N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide
• SMILES: C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN(C(C)C)C5CC(Oc6ccc(C(=O)N[C@H]7CCC(=O)CC7=O)c(F)c6)C5)C4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN5CCN(c6ccc(C(=O)N[C@@H]7CCC(=O)CC7=O)c(F)c6)CC5)C4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN5CCN(c6ccc(C(=O)N[C@H]7CCC(=O)CC7=O)c(F)c6)CC5)C4)cc3)C2(C)C)cc1C
• InChI: InChI=1S/C51H62FN3O7.2C48H57FN4O6/c1-10-41-31(4)21-38(22-32(41)5)62-49-50(6,7)47(51(49,8)9)27-45(57)33-11-13-34(14-12-33)54-19-20-60-40(28-54)29-55(30(2)3)35-23-39(24-35)61-37-16-17-42(43(52)26-37)48(59)53-44-18-15-36(56)25-46(44)58;2*1-8-38-30(2)23-36(24-31(38)3)59-46-47(4,5)44(48(46,6)7)27-42(55)32-9-11-33(12-10-32)53-21-22-58-37(29-53)28-51-17-19-52(20-18-51)34-13-15-39(40(49)25-34)45(57)50-41-16-14-35(54)26-43(41)56/h1,11-14,16-17,21-22,26,30,35,39-40,44,47,49H,15,18-20,23-25,27-29H2,2-9H3,(H,53,59);2*1,9-13,15,23-25,37,41,44,46H,14,16-22,26-29H2,2-7H3,(H,50,57)/t35?,39?,40-,44-,47?,49?;37-,41+,44?,46?;37-,41-,44?,46?/m011/s1
• InChIKey: BLYCPMSGFKBXKM-HKIFWOHGSA-N
• XLogP: 21.22
• TPSA: 331.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.08
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide?

The IUPAC name of N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide (CID 157390445) is N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide.

What is the SMILES notation for N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide?

The canonical SMILES for N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide is C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN(C(C)C)C5CC(Oc6ccc(C(=O)N[C@H]7CCC(=O)CC7=O)c(F)c6)C5)C4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN5CCN(c6ccc(C(=O)N[C@@H]7CCC(=O)CC7=O)c(F)c6)CC5)C4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCO[C@H](CN5CCN(c6ccc(C(=O)N[C@H]7CCC(=O)CC7=O)c(F)c6)CC5)C4)cc3)C2(C)C)cc1C.

What is the InChIKey of N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide?

The InChIKey is BLYCPMSGFKBXKM-HKIFWOHGSA-N. The full InChI is InChI=1S/C51H62FN3O7.2C48H57FN4O6/c1-10-41-31(4)21-38(22-32(41)5)62-49-50(6,7)47(51(49,8)9)27-45(57)33-11-13-34(14-12-33)54-19-20-60-40(28-54)29-55(30(2)3)35-23-39(24-35)61-37-16-17-42(43(52)26-37)48(59)53-44-18-15-36(56)25-46(44)58;2*1-8-38-30(2)23-36(24-31(38)3)59-46-47(4,5)44(48(46,6)7)27-42(55)32-9-11-33(12-10-32)53-21-22-58-37(29-53)28-51-17-19-52(20-18-51)34-13-15-39(40(49)25-34)45(57)50-41-16-14-35(54)26-43(41)56/h1,11-14,16-17,21-22,26,30,35,39-40,44,47,49H,15,18-20,23-25,27-29H2,2-9H3,(H,53,59);2*1,9-13,15,23-25,37,41,44,46H,14,16-22,26-29H2,2-7H3,(H,50,57)/t35?,39?,40-,44-,47?,49?;37-,41+,44?,46?;37-,41-,44?,46?/m011/s1.

What are the key properties of N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide?

N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide has a molecular weight of 2458.08 g/mol, XLogP of 21.22, 36 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1R)-2,4-dioxocyclohexyl]-4-[4-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl]piperazin-1-yl]-2-fluorobenzamide;N-[(1S)-2,4-dioxocyclohexyl]-4-[3-[[(2R)-4-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]morpholin-2-yl]methyl-propan-2-ylamino]cyclobutyl]oxy-2-fluorobenzamide is sourced from PubChem (CID 157390445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).