N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

C48H58N8O8 — CID 163267739

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 163267739) has the molecular formula C48H58N8O8 and a molecular weight of 875.04 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 163267739
• Molecular Formula: C48H58N8O8
• Molecular Weight: 875.04 g/mol
• Exact Mass: 874.44
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: CCN(CC1CCN(c2cnc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cn2)CC1)C1CC(Oc2cc(OC)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C48H58N8O8/c1-9-54(29-18-31(19-29)63-32-20-33-40(37(21-32)62-8)44(61)56(43(33)60)36-10-11-39(57)52-42(36)59)25-28-12-14-55(15-13-28)38-24-50-35(23-51-38)41(58)53-45-47(4,5)46(48(45,6)7)64-30-16-26(2)34(22-49)27(3)17-30/h16-17,20-21,23-24,28-29,31,36,45-46H,9-15,18-19,25H2,1-8H3,(H,53,58)(H,52,57,59)
• InChIKey: LIXXYTPALHKBCM-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 196.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.04
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 163267739) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is CCN(CC1CCN(c2cnc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cn2)CC1)C1CC(Oc2cc(OC)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is LIXXYTPALHKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58N8O8/c1-9-54(29-18-31(19-29)63-32-20-33-40(37(21-32)62-8)44(61)56(43(33)60)36-10-11-39(57)52-42(36)59)25-28-12-14-55(15-13-28)38-24-50-35(23-51-38)41(58)53-45-47(4,5)46(48(45,6)7)64-30-16-26(2)34(22-49)27(3)17-30/h16-17,20-21,23-24,28-29,31,36,45-46H,9-15,18-19,25H2,1-8H3,(H,53,58)(H,52,57,59).

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 875.04 g/mol, XLogP of 5.14, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-ethylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 163267739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).