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

C29H32N2O3 — CID 3288744

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide (PubChem CID 3288744) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide.

Molecular Properties

• Compound Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide
• PubChem CID: 3288744
• Molecular Formula: C29H32N2O3
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.24
• IUPAC Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide
• SMILES: CCc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)C3CCCCC3)C4)c2)cc1
• InChI: InChI=1S/C29H32N2O3/c1-2-20-11-13-21(14-12-20)28(32)30-25-10-6-9-23(17-25)27-18-24-19-31(16-15-26(24)34-27)29(33)22-7-4-3-5-8-22/h6,9-14,17-18,22H,2-5,7-8,15-16,19H2,1H3,(H,30,32)
• InChIKey: DJJSOMBUEFOGSF-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide (CID 3288744) is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide.

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

The canonical SMILES for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)C3CCCCC3)C4)c2)cc1.

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

The InChIKey is DJJSOMBUEFOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-2-20-11-13-21(14-12-20)28(32)30-25-10-6-9-23(17-25)27-18-24-19-31(16-15-26(24)34-27)29(33)22-7-4-3-5-8-22/h6,9-14,17-18,22H,2-5,7-8,15-16,19H2,1H3,(H,30,32).

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 3288744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).