2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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

C52H59Br2N3O13 — CID 158502928

IUPAC2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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
SMILESCOC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1Br.COc1cc(-c2ccco2)cc(OC)c1Br
InChIInChI=1S/C25H26BrNO6.C15H22N2O4.C12H11BrO3/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
InChIKeyHKCQVLUEEWVSHT-UHFFFAOYSA-N
MW1093.86 g/mol
LogP10.09
Rot. Bonds16

About 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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 (PubChem CID 158502928) has the molecular formula C52H59Br2N3O13 and a molecular weight of 1093.86 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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
PubChem CID158502928
Molecular FormulaC52H59Br2N3O13
Molecular Weight1093.86 g/mol
Exact Mass1091.24
IUPAC Name2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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
SMILESCOC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1Br.COc1cc(-c2ccco2)cc(OC)c1Br
InChIInChI=1S/C25H26BrNO6.C15H22N2O4.C12H11BrO3/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
InChIKeyHKCQVLUEEWVSHT-UHFFFAOYSA-N
XLogP10.09
TPSA153.21 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.86
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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?
The IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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 (CID 158502928) is 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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.
What is the SMILES notation for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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?
The canonical SMILES for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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 is COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1Br.COc1cc(-c2ccco2)cc(OC)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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?
The InChIKey is HKCQVLUEEWVSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO6.C15H22N2O4.C12H11BrO3/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 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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 has a molecular weight of 1093.86 g/mol, XLogP of 10.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-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 is sourced from PubChem (CID 158502928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).