3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C25H26N2O6 — CID 4614734

About 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 4614734) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 4614734
• Molecular Formula: C25H26N2O6
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.18
• IUPAC Name: 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COCC(=O)N1CCc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)cc2C1
• InChI: InChI=1S/C25H26N2O6/c1-30-15-24(28)27-9-8-22-18(14-27)12-23(33-22)16-4-6-19(7-5-16)26-25(29)17-10-20(31-2)13-21(11-17)32-3/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,26,29)
• InChIKey: QTNSOCXNNTZJGV-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 4614734) is 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COCC(=O)N1CCc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)cc2C1.

What is the InChIKey of 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is QTNSOCXNNTZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-30-15-24(28)27-9-8-22-18(14-27)12-23(33-22)16-4-6-19(7-5-16)26-25(29)17-10-20(31-2)13-21(11-17)32-3/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,26,29).

What are the key properties of 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 4614734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).