[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate

C66H69N3O17 — CID 162071379

About [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate

[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate (PubChem CID 162071379) has the molecular formula C66H69N3O17 and a molecular weight of 1176.28 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate.

Molecular Properties

• Compound Name: [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
• PubChem CID: 162071379
• Molecular Formula: C66H69N3O17
• Molecular Weight: 1176.28 g/mol
• Exact Mass: 1175.46
• IUPAC Name: [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
• SMILES: COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC(=O)c1ccccc1.COc1cc(-c2ccco2)cc(OC)c1OC(=O)c1ccccc1
• InChI: InChI=1S/C32H31NO8.C19H16O5.C15H22N2O4/c1-36-27-19-23(20-28(37-2)31(27)41-32(35)22-7-5-4-6-8-22)25-13-14-26(40-25)29(34)30(38-3)21-9-11-24(12-10-21)33-15-17-39-18-16-33;1-21-16-11-14(15-9-6-10-23-15)12-17(22-2)18(16)24-19(20)13-7-4-3-5-8-13;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17/h4-14,19-20,30H,15-18H2,1-3H3;3-12H,1-2H3;4-7,14H,8-11H2,1-3H3
• InChIKey: ZBCZYEPHGDIUKV-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 205.81 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.28
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?

The IUPAC name of [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate (CID 162071379) is [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate.

What is the SMILES notation for [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?

The canonical SMILES for [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate is COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC(=O)c1ccccc1.COc1cc(-c2ccco2)cc(OC)c1OC(=O)c1ccccc1.

What is the InChIKey of [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?

The InChIKey is ZBCZYEPHGDIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO8.C19H16O5.C15H22N2O4/c1-36-27-19-23(20-28(37-2)31(27)41-32(35)22-7-5-4-6-8-22)25-13-14-26(40-25)29(34)30(38-3)21-9-11-24(12-10-21)33-15-17-39-18-16-33;1-21-16-11-14(15-9-6-10-23-15)12-17(22-2)18(16)24-19(20)13-7-4-3-5-8-13;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17/h4-14,19-20,30H,15-18H2,1-3H3;3-12H,1-2H3;4-7,14H,8-11H2,1-3H3.

What are the key properties of [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?

[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate has a molecular weight of 1176.28 g/mol, XLogP of 11.00, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate is sourced from PubChem (CID 162071379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).