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

C49H60N8O8 — CID 163268179

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 163268179) has the molecular formula C49H60N8O8 and a molecular weight of 889.07 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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 163268179
• Molecular Formula: C49H60N8O8
• Molecular Weight: 889.07 g/mol
• Exact Mass: 888.45
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: COc1cc2c(cc1OC1CC(N(CC3CCN(c4cnc(C(=O)NC5C(C)(C)C(Oc6cc(C)c(C#N)c(C)c6)C5(C)C)cn4)CC3)C(C)C)C1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C49H60N8O8/c1-26(2)56(30-18-32(19-30)64-39-21-34-33(20-38(39)63-9)44(61)57(45(34)62)37-10-11-41(58)53-43(37)60)25-29-12-14-55(15-13-29)40-24-51-36(23-52-40)42(59)54-46-48(5,6)47(49(46,7)8)65-31-16-27(3)35(22-50)28(4)17-31/h16-17,20-21,23-24,26,29-30,32,37,46-47H,10-15,18-19,25H2,1-9H3,(H,54,59)(H,53,58,60)
• InChIKey: UWLPXEHBOAVMLQ-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 196.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.07
LogP ≤ 5	5.52
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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 163268179) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is COc1cc2c(cc1OC1CC(N(CC3CCN(c4cnc(C(=O)NC5C(C)(C)C(Oc6cc(C)c(C#N)c(C)c6)C5(C)C)cn4)CC3)C(C)C)C1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is UWLPXEHBOAVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H60N8O8/c1-26(2)56(30-18-32(19-30)64-39-21-34-33(20-38(39)63-9)44(61)57(45(34)62)37-10-11-41(58)53-43(37)60)25-29-12-14-55(15-13-29)40-24-51-36(23-52-40)42(59)54-46-48(5,6)47(49(46,7)8)65-31-16-27(3)35(22-50)28(4)17-31/h16-17,20-21,23-24,26,29-30,32,37,46-47H,10-15,18-19,25H2,1-9H3,(H,54,59)(H,53,58,60).

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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 889.07 g/mol, XLogP of 5.52, 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)-6-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 163268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).