N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone

C52H59F2N3O13 — CID 158593804

About N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone

N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 158593804) has the molecular formula C52H59F2N3O13 and a molecular weight of 972.05 g/mol. Its IUPAC name is N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

• Compound Name: N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
• PubChem CID: 158593804
• Molecular Formula: C52H59F2N3O13
• Molecular Weight: 972.05 g/mol
• Exact Mass: 971.40
• IUPAC Name: N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
• SMILES: COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1F.COc1cc(-c2ccco2)cc(OC)c1F
• InChI: InChI=1S/C25H26FNO6.C15H22N2O4.C12H11FO3/c1-29-21-14-17(15-22(30-2)23(21)26)19-8-9-20(33-19)24(28)25(31-3)16-4-6-18(7-5-16)27-10-12-32-13-11-27;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-14-10-6-8(9-4-3-5-16-9)7-11(15-2)12(10)13/h4-9,14-15,25H,10-13H2,1-3H3;4-7,14H,8-11H2,1-3H3;3-7H,1-2H3
• InChIKey: HUTQZELRQFWGDH-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 153.21 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	972.05
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?

The IUPAC name of N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone (CID 158593804) is N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone.

What is the SMILES notation for N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?

The canonical SMILES for N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone is COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1F.COc1cc(-c2ccco2)cc(OC)c1F.

What is the InChIKey of N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?

The InChIKey is HUTQZELRQFWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO6.C15H22N2O4.C12H11FO3/c1-29-21-14-17(15-22(30-2)23(21)26)19-8-9-20(33-19)24(28)25(31-3)16-4-6-18(7-5-16)27-10-12-32-13-11-27;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-14-10-6-8(9-4-3-5-16-9)7-11(15-2)12(10)13/h4-9,14-15,25H,10-13H2,1-3H3;4-7,14H,8-11H2,1-3H3;3-7H,1-2H3.

What are the key properties of N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone?

N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 972.05 g/mol, XLogP of 8.84, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 158593804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).