N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C56H74N8O12 — CID 175856333

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 175856333) has the molecular formula C56H74N8O12 and a molecular weight of 1051.25 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 175856333
• Molecular Formula: C56H74N8O12
• Molecular Weight: 1051.25 g/mol
• Exact Mass: 1050.54
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• SMILES: COCCOCCOCCOCCOCCN(CC1CCN(c2ncc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cn2)CC1)C1CC(Oc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C56H74N8O12/c1-35-26-41(27-36(2)45(35)31-57)76-53-55(3,4)52(56(53,5)6)61-48(66)38-32-58-54(59-33-38)62-14-12-37(13-15-62)34-63(16-17-71-20-21-73-24-25-74-23-22-72-19-18-70-7)39-28-42(29-39)75-40-8-9-43-44(30-40)51(69)64(50(43)68)46-10-11-47(65)60-49(46)67/h8-9,26-27,30,32-33,37,39,42,46,52-53H,10-25,28-29,34H2,1-7H3,(H,61,66)(H,60,65,67)/t39?,42?,46-,52?,53?/m1/s1
• InChIKey: NNLRUALEZATGHU-UISMKWJISA-N
• XLogP: 4.82
• TPSA: 233.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.25
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 175856333) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is COCCOCCOCCOCCOCCN(CC1CCN(c2ncc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cn2)CC1)C1CC(Oc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is NNLRUALEZATGHU-UISMKWJISA-N. The full InChI is InChI=1S/C56H74N8O12/c1-35-26-41(27-36(2)45(35)31-57)76-53-55(3,4)52(56(53,5)6)61-48(66)38-32-58-54(59-33-38)62-14-12-37(13-15-62)34-63(16-17-71-20-21-73-24-25-74-23-22-72-19-18-70-7)39-28-42(29-39)75-40-8-9-43-44(30-40)51(69)64(50(43)68)46-10-11-47(65)60-49(46)67/h8-9,26-27,30,32-33,37,39,42,46,52-53H,10-25,28-29,34H2,1-7H3,(H,61,66)(H,60,65,67)/t39?,42?,46-,52?,53?/m1/s1.

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 1051.25 g/mol, XLogP of 4.82, 26 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 175856333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).