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

C31H30N2O5 — CID 4096696

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

3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 4096696) has the molecular formula C31H30N2O5 and a molecular weight of 510.59 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 4096696
• Molecular Formula: C31H30N2O5
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.22
• IUPAC Name: 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)CCc3ccccc3)C4)cc2)c1
• InChI: InChI=1S/C31H30N2O5/c1-36-26-16-23(17-27(19-26)37-2)31(35)32-25-11-9-22(10-12-25)29-18-24-20-33(15-14-28(24)38-29)30(34)13-8-21-6-4-3-5-7-21/h3-7,9-12,16-19H,8,13-15,20H2,1-2H3,(H,32,35)
• InChIKey: OTGGNJHAIXYLRO-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 4096696) is 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-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-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)CCc3ccccc3)C4)cc2)c1.

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

The InChIKey is OTGGNJHAIXYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O5/c1-36-26-16-23(17-27(19-26)37-2)31(35)32-25-11-9-22(10-12-25)29-18-24-20-33(15-14-28(24)38-29)30(34)13-8-21-6-4-3-5-7-21/h3-7,9-12,16-19H,8,13-15,20H2,1-2H3,(H,32,35).

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

3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 510.59 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 4096696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).