N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

C27H29N5O6 — CID 170177131

About N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide

N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 170177131) has the molecular formula C27H29N5O6 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• PubChem CID: 170177131
• Molecular Formula: C27H29N5O6
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.21
• IUPAC Name: N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide
• SMILES: O=C1CCC(N2Cc3cc(CNC(=O)C(NC(=O)N4CCOCC4)c4ccccc4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C27H29N5O6/c33-22-9-8-21(24(34)29-22)32-16-19-14-17(6-7-20(19)26(32)36)15-28-25(35)23(18-4-2-1-3-5-18)30-27(37)31-10-12-38-13-11-31/h1-7,14,21,23H,8-13,15-16H2,(H,28,35)(H,30,37)(H,29,33,34)
• InChIKey: LACXNXTWGROIFL-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 137.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The IUPAC name of N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide (CID 170177131) is N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The canonical SMILES for N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is O=C1CCC(N2Cc3cc(CNC(=O)C(NC(=O)N4CCOCC4)c4ccccc4)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

The InChIKey is LACXNXTWGROIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O6/c33-22-9-8-21(24(34)29-22)32-16-19-14-17(6-7-20(19)26(32)36)15-28-25(35)23(18-4-2-1-3-5-18)30-27(37)31-10-12-38-13-11-31/h1-7,14,21,23H,8-13,15-16H2,(H,28,35)(H,30,37)(H,29,33,34).

What are the key properties of N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide?

N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylamino]-2-oxo-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 170177131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).