N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide

C34H33F2N9O8 — CID 172677100

About N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide

N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide (PubChem CID 172677100) has the molecular formula C34H33F2N9O8 and a molecular weight of 733.69 g/mol. Its IUPAC name is N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide.

Molecular Properties

• Compound Name: N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide
• PubChem CID: 172677100
• Molecular Formula: C34H33F2N9O8
• Molecular Weight: 733.69 g/mol
• Exact Mass: 733.24
• IUPAC Name: N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide
• SMILES: O=C(COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCc1cccc(CNc2ncc(-c3nnc(C(F)F)o3)cn2)c1
• InChI: InChI=1S/C34H33F2N9O8/c35-28(36)31-44-43-30(53-31)21-16-40-34(41-17-21)39-15-20-4-1-3-19(13-20)14-38-26(47)18-52-12-11-51-10-9-37-23-6-2-5-22-27(23)33(50)45(32(22)49)24-7-8-25(46)42-29(24)48/h1-6,13,16-17,24,28,37H,7-12,14-15,18H2,(H,38,47)(H,39,40,41)(H,42,46,48)
• InChIKey: CIGJXYCZLSTSRI-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 219.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.69
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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 N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide?

The IUPAC name of N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide (CID 172677100) is N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide.

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

The canonical SMILES for N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide is O=C(COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCc1cccc(CNc2ncc(-c3nnc(C(F)F)o3)cn2)c1.

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

The InChIKey is CIGJXYCZLSTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F2N9O8/c35-28(36)31-44-43-30(53-31)21-16-40-34(41-17-21)39-15-20-4-1-3-19(13-20)14-38-26(47)18-52-12-11-51-10-9-37-23-6-2-5-22-27(23)33(50)45(32(22)49)24-7-8-25(46)42-29(24)48/h1-6,13,16-17,24,28,37H,7-12,14-15,18H2,(H,38,47)(H,39,40,41)(H,42,46,48).

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

N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide has a molecular weight of 733.69 g/mol, XLogP of 2.24, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]-2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 172677100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).