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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C47H56N8O7 — CID 175856337

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]-ethylamino]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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 175856337) has the molecular formula C47H56N8O7 and a molecular weight of 845.01 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]-ethylamino]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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 175856337
• Molecular Formula: C47H56N8O7
• Molecular Weight: 845.01 g/mol
• Exact Mass: 844.43
• 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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• SMILES: CCN(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/C47H56N8O7/c1-8-53(30-19-33(20-30)61-31-9-10-34-35(21-31)42(60)55(41(34)59)37-11-12-38(56)51-40(37)58)25-28-13-15-54(16-14-28)45-49-23-29(24-50-45)39(57)52-43-46(4,5)44(47(43,6)7)62-32-17-26(2)36(22-48)27(3)18-32/h9-10,17-18,21,23-24,28,30,33,37,43-44H,8,11-16,19-20,25H2,1-7H3,(H,52,57)(H,51,56,58)/t30?,33?,37-,43?,44?/m1/s1
• InChIKey: HPFSINGSAOMFBO-CHCJUPNUSA-N
• XLogP: 5.13
• TPSA: 187.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	845.01
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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]-2-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 175856337) 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]-ethylamino]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]-ethylamino]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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CCN(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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is HPFSINGSAOMFBO-CHCJUPNUSA-N. The full InChI is InChI=1S/C47H56N8O7/c1-8-53(30-19-33(20-30)61-31-9-10-34-35(21-31)42(60)55(41(34)59)37-11-12-38(56)51-40(37)58)25-28-13-15-54(16-14-28)45-49-23-29(24-50-45)39(57)52-43-46(4,5)44(47(43,6)7)62-32-17-26(2)36(22-48)27(3)18-32/h9-10,17-18,21,23-24,28,30,33,37,43-44H,8,11-16,19-20,25H2,1-7H3,(H,52,57)(H,51,56,58)/t30?,33?,37-,43?,44?/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]-ethylamino]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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 845.01 g/mol, XLogP of 5.13, 12 rotatable bonds, 2 hydrogen bond donors, and 12 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]-ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 175856337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).