N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide

C28H32N4O6 — CID 166429543

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide (PubChem CID 166429543) has the molecular formula C28H32N4O6 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide
• PubChem CID: 166429543
• Molecular Formula: C28H32N4O6
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.23
• IUPAC Name: N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide
• SMILES: COCC(NCCCCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccc1
• InChI: InChI=1S/C28H32N4O6/c1-38-17-21(18-9-4-2-5-10-18)29-16-7-3-6-13-23(33)30-20-12-8-11-19-25(20)28(37)32(27(19)36)22-14-15-24(34)31-26(22)35/h2,4-5,8-12,21-22,29H,3,6-7,13-17H2,1H3,(H,30,33)(H,31,34,35)
• InChIKey: HKHVTQPVSBAZAY-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide?

The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide (CID 166429543) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide.

What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide?

The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide is COCC(NCCCCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccccc1.

What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide?

The InChIKey is HKHVTQPVSBAZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O6/c1-38-17-21(18-9-4-2-5-10-18)29-16-7-3-6-13-23(33)30-20-12-8-11-19-25(20)28(37)32(27(19)36)22-14-15-24(34)31-26(22)35/h2,4-5,8-12,21-22,29H,3,6-7,13-17H2,1H3,(H,30,33)(H,31,34,35).

What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide?

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide has a molecular weight of 520.59 g/mol, XLogP of 2.56, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[(2-methoxy-1-phenylethyl)amino]hexanamide is sourced from PubChem (CID 166429543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).