cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C35H42N6O7S — CID 177161264

About cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 177161264) has the molecular formula C35H42N6O7S and a molecular weight of 690.82 g/mol. Its IUPAC name is cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 177161264
• Molecular Formula: C35H42N6O7S
• Molecular Weight: 690.82 g/mol
• Exact Mass: 690.28
• IUPAC Name: cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1cnc(NC(=O)Cc2cccc(OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)s1.NC1CCCCC1
• InChI: InChI=1S/C29H29N5O7S.C6H13N/c1-17-16-31-29(42-17)33-24(36)15-18-4-2-5-19(14-18)41-13-12-40-11-10-30-21-7-3-6-20-25(21)28(39)34(27(20)38)22-8-9-23(35)32-26(22)37;7-6-4-2-1-3-5-6/h2-7,14,16,22,30H,8-13,15H2,1H3,(H,31,33,36)(H,32,35,37);6H,1-5,7H2
• InChIKey: UJOMMHMKUWECTB-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 182.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.82
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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 cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 177161264) is cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2cccc(OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2)s1.NC1CCCCC1.

What is the InChIKey of cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is UJOMMHMKUWECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O7S.C6H13N/c1-17-16-31-29(42-17)33-24(36)15-18-4-2-5-19(14-18)41-13-12-40-11-10-30-21-7-3-6-20-25(21)28(39)34(27(20)38)22-8-9-23(35)32-26(22)37;7-6-4-2-1-3-5-6/h2-7,14,16,22,30H,8-13,15H2,1H3,(H,31,33,36)(H,32,35,37);6H,1-5,7H2.

What are the key properties of cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 690.82 g/mol, XLogP of 3.82, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanamine;2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 177161264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).