4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide

C149H178N8O24 — CID 158266471

About 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide

4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide (PubChem CID 158266471) has the molecular formula C149H178N8O24 and a molecular weight of 2465.09 g/mol. Its IUPAC name is 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide
• PubChem CID: 158266471
• Molecular Formula: C149H178N8O24
• Molecular Weight: 2465.09 g/mol
• Exact Mass: 2463.30
• IUPAC Name: 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide
• SMILES: C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCC(OC5CC(Oc6ccc(C(=O)NC7CCC(=O)CC7=O)c(OC)c6)C5)CC4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCC5(CC4)CN(C4CC(Oc6ccc(C(=O)NC7CCC(=O)CC7=O)c(OC)c6)C4)CCO5)cc3)C2(C)C)cc1C.C=C1CCC(NC(=O)c2ccc(OC3CC(OC4CCN(c5ccc(C(=O)CC6C(C)(C)C(Oc7ccc(C#N)c(OC)c7)C6(C)C)cc5)CC4)C3)cc2OC)C(=O)C1
• InChI: InChI=1S/C52H63N3O8.C49H58N2O8.C48H57N3O8/c1-9-41-32(2)24-39(25-33(41)3)63-49-50(4,5)47(51(49,6)7)30-44(57)34-10-12-35(13-11-34)54-20-18-52(19-21-54)31-55(22-23-61-52)36-26-40(27-36)62-38-15-16-42(46(29-38)60-8)48(59)53-43-17-14-37(56)28-45(43)58;1-9-39-29(2)22-36(23-30(39)3)59-47-48(4,5)45(49(47,6)7)28-42(53)31-10-12-32(13-11-31)51-20-18-34(19-21-51)57-37-25-38(26-37)58-35-15-16-40(44(27-35)56-8)46(55)50-41-17-14-33(52)24-43(41)54;1-29-8-17-39(41(53)22-29)50-45(54)38-16-15-34(26-43(38)56-7)58-37-23-36(24-37)57-33-18-20-51(21-19-33)32-12-9-30(10-13-32)40(52)27-44-47(2,3)46(48(44,4)5)59-35-14-11-31(28-49)42(25-35)55-6/h1,10-13,15-16,24-25,29,36,40,43,47,49H,14,17-23,26-28,30-31H2,2-8H3,(H,53,59);1,10-13,15-16,22-23,27,34,37-38,41,45,47H,14,17-21,24-26,28H2,2-8H3,(H,50,55);9-16,25-26,33,36-37,39,44,46H,1,8,17-24,27H2,2-7H3,(H,50,54)
• InChIKey: GIMRCRJGOYPXDQ-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 380.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2465.09
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide?

The IUPAC name of 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide (CID 158266471) is 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide.

What is the SMILES notation for 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide?

The canonical SMILES for 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide is C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCC(OC5CC(Oc6ccc(C(=O)NC7CCC(=O)CC7=O)c(OC)c6)C5)CC4)cc3)C2(C)C)cc1C.C#Cc1c(C)cc(OC2C(C)(C)C(CC(=O)c3ccc(N4CCC5(CC4)CN(C4CC(Oc6ccc(C(=O)NC7CCC(=O)CC7=O)c(OC)c6)C4)CCO5)cc3)C2(C)C)cc1C.C=C1CCC(NC(=O)c2ccc(OC3CC(OC4CCN(c5ccc(C(=O)CC6C(C)(C)C(Oc7ccc(C#N)c(OC)c7)C6(C)C)cc5)CC4)C3)cc2OC)C(=O)C1.

What is the InChIKey of 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide?

The InChIKey is GIMRCRJGOYPXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H63N3O8.C49H58N2O8.C48H57N3O8/c1-9-41-32(2)24-39(25-33(41)3)63-49-50(4,5)47(51(49,6)7)30-44(57)34-10-12-35(13-11-34)54-20-18-52(19-21-54)31-55(22-23-61-52)36-26-40(27-36)62-38-15-16-42(46(29-38)60-8)48(59)53-43-17-14-37(56)28-45(43)58;1-9-39-29(2)22-36(23-30(39)3)59-47-48(4,5)45(49(47,6)7)28-42(53)31-10-12-32(13-11-31)51-20-18-34(19-21-51)57-37-25-38(26-37)58-35-15-16-40(44(27-35)56-8)46(55)50-41-17-14-33(52)24-43(41)54;1-29-8-17-39(41(53)22-29)50-45(54)38-16-15-34(26-43(38)56-7)58-37-23-36(24-37)57-33-18-20-51(21-19-33)32-12-9-30(10-13-32)40(52)27-44-47(2,3)46(48(44,4)5)59-35-14-11-31(28-49)42(25-35)55-6/h1,10-13,15-16,24-25,29,36,40,43,47,49H,14,17-23,26-28,30-31H2,2-8H3,(H,53,59);1,10-13,15-16,22-23,27,34,37-38,41,45,47H,14,17-21,24-26,28H2,2-8H3,(H,50,55);9-16,25-26,33,36-37,39,44,46H,1,8,17-24,27H2,2-7H3,(H,50,54).

What are the key properties of 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide?

4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide has a molecular weight of 2465.09 g/mol, XLogP of 23.99, 39 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-[4-[2-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxy-N-(4-methylidene-2-oxocyclohexyl)benzamide;N-(2,4-dioxocyclohexyl)-4-[3-[9-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzamide;N-(2,4-dioxocyclohexyl)-4-[3-[1-[4-[2-[3-(4-ethynyl-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]acetyl]phenyl]piperidin-4-yl]oxycyclobutyl]oxy-2-methoxybenzamide is sourced from PubChem (CID 158266471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).