N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide

C51H62N6O9 — CID 175856290

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide (PubChem CID 175856290) has the molecular formula C51H62N6O9 and a molecular weight of 903.09 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide
• PubChem CID: 175856290
• Molecular Formula: C51H62N6O9
• Molecular Weight: 903.09 g/mol
• Exact Mass: 902.46
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide
• SMILES: COCCN(CC1CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cc2)CC1)C1CC(Oc2cc(OC)c3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C51H62N6O9/c1-29-21-35(22-30(2)39(29)27-52)66-49-50(3,4)48(51(49,5)6)54-44(59)32-9-11-33(12-10-32)55-17-15-31(16-18-55)28-56(19-20-63-7)34-23-36(24-34)65-37-25-38-43(41(26-37)64-8)47(62)57(46(38)61)40-13-14-42(58)53-45(40)60/h9-12,21-22,25-26,31,34,36,40,48-49H,13-20,23-24,28H2,1-8H3,(H,54,59)(H,53,58,60)/t34?,36?,40-,48?,49?/m1/s1
• InChIKey: DQEOGUYNSNOCHP-XDQGCHTDSA-N
• XLogP: 5.97
• TPSA: 179.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.09
LogP ≤ 5	5.97
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]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide (CID 175856290) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide.

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

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide is COCCN(CC1CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4cc(C)c(C#N)c(C)c4)C3(C)C)cc2)CC1)C1CC(Oc2cc(OC)c3c(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]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide?

The InChIKey is DQEOGUYNSNOCHP-XDQGCHTDSA-N. The full InChI is InChI=1S/C51H62N6O9/c1-29-21-35(22-30(2)39(29)27-52)66-49-50(3,4)48(51(49,5)6)54-44(59)32-9-11-33(12-10-32)55-17-15-31(16-18-55)28-56(19-20-63-7)34-23-36(24-34)65-37-25-38-43(41(26-37)64-8)47(62)57(46(38)61)40-13-14-42(58)53-45(40)60/h9-12,21-22,25-26,31,34,36,40,48-49H,13-20,23-24,28H2,1-8H3,(H,54,59)(H,53,58,60)/t34?,36?,40-,48?,49?/m1/s1.

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

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide has a molecular weight of 903.09 g/mol, XLogP of 5.97, 15 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]-4-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-7-methoxy-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-(2-methoxyethyl)amino]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 175856290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).