2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide

C22H25N3O7 — CID 166431279

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide (PubChem CID 166431279) has the molecular formula C22H25N3O7 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
• PubChem CID: 166431279
• Molecular Formula: C22H25N3O7
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
• SMILES: CO[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C22H25N3O7/c1-31-17-5-3-2-4-15(17)23-19(27)11-32-12-6-7-13-14(10-12)22(30)25(21(13)29)16-8-9-18(26)24-20(16)28/h6-7,10,15-17H,2-5,8-9,11H2,1H3,(H,23,27)(H,24,26,28)/t15-,16?,17-/m0/s1
• InChIKey: YUERQWNQXFQAPX-QRFGZVGRSA-N
• XLogP: 0.54
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide (CID 166431279) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide is CO[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?

The InChIKey is YUERQWNQXFQAPX-QRFGZVGRSA-N. The full InChI is InChI=1S/C22H25N3O7/c1-31-17-5-3-2-4-15(17)23-19(27)11-32-12-6-7-13-14(10-12)22(30)25(21(13)29)16-8-9-18(26)24-20(16)28/h6-7,10,15-17H,2-5,8-9,11H2,1H3,(H,23,27)(H,24,26,28)/t15-,16?,17-/m0/s1.

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide?

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide has a molecular weight of 443.46 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide is sourced from PubChem (CID 166431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).