2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide

C22H28Cl2N2O6 — CID 42772845

About 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide

2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 42772845) has the molecular formula C22H28Cl2N2O6 and a molecular weight of 487.38 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
• PubChem CID: 42772845
• Molecular Formula: C22H28Cl2N2O6
• Molecular Weight: 487.38 g/mol
• Exact Mass: 486.13
• IUPAC Name: 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
• SMILES: COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C(Cl)Cl
• InChI: InChI=1S/C22H28Cl2N2O6/c1-29-12-10-26(22(28)21(23)24)15-20(27)25(14-17-5-4-11-32-17)9-8-16-6-7-18(30-2)19(13-16)31-3/h4-7,11,13,21H,8-10,12,14-15H2,1-3H3
• InChIKey: LKURKUWJJCJOIM-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 81.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.38
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?

The IUPAC name of 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide (CID 42772845) is 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide.

What is the SMILES notation for 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?

The canonical SMILES for 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide is COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C(Cl)Cl.

What is the InChIKey of 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?

The InChIKey is LKURKUWJJCJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O6/c1-29-12-10-26(22(28)21(23)24)15-20(27)25(14-17-5-4-11-32-17)9-8-16-6-7-18(30-2)19(13-16)31-3/h4-7,11,13,21H,8-10,12,14-15H2,1-3H3.

What are the key properties of 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide?

2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 487.38 g/mol, XLogP of 3.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42772845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).