N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide

C30H38FN3O6 — CID 145070235

About N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide

N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide (PubChem CID 145070235) has the molecular formula C30H38FN3O6 and a molecular weight of 555.65 g/mol. Its IUPAC name is N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

• Compound Name: N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide
• PubChem CID: 145070235
• Molecular Formula: C30H38FN3O6
• Molecular Weight: 555.65 g/mol
• Exact Mass: 555.27
• IUPAC Name: N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide
• SMILES: Cc1cccc(OCc2cc(CN3CC(C)(C)OC(C)(C)C3)ccc2F)c1CN(C=O)C1(O)CCC(=O)NC1=O
• InChI: InChI=1S/C30H38FN3O6/c1-20-7-6-8-25(23(20)15-34(19-35)30(38)12-11-26(36)32-27(30)37)39-16-22-13-21(9-10-24(22)31)14-33-17-28(2,3)40-29(4,5)18-33/h6-10,13,19,38H,11-12,14-18H2,1-5H3,(H,32,36,37)
• InChIKey: CRCZDCXBJRZDFF-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 108.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.65
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide?

The IUPAC name of N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide (CID 145070235) is N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide.

What is the SMILES notation for N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide?

The canonical SMILES for N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide is Cc1cccc(OCc2cc(CN3CC(C)(C)OC(C)(C)C3)ccc2F)c1CN(C=O)C1(O)CCC(=O)NC1=O.

What is the InChIKey of N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide?

The InChIKey is CRCZDCXBJRZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O6/c1-20-7-6-8-25(23(20)15-34(19-35)30(38)12-11-26(36)32-27(30)37)39-16-22-13-21(9-10-24(22)31)14-33-17-28(2,3)40-29(4,5)18-33/h6-10,13,19,38H,11-12,14-18H2,1-5H3,(H,32,36,37).

What are the key properties of N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide?

N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 555.65 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]-N-(3-hydroxy-2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 145070235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).