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

C28H30N2O4 — CID 42785203

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 42785203) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• PubChem CID: 42785203
• Molecular Formula: C28H30N2O4
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.22
• IUPAC Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1
• InChI: InChI=1S/C28H30N2O4/c31-27(19-33-24-12-5-2-6-13-24)29-23-11-7-10-21(16-23)26-17-22-18-30(15-14-25(22)34-26)28(32)20-8-3-1-4-9-20/h2,5-7,10-13,16-17,20H,1,3-4,8-9,14-15,18-19H2,(H,29,31)
• InChIKey: ZQZRNRAJVRRMAL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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]-2-phenoxyacetamide?

The IUPAC name of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (CID 42785203) is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1.

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

The InChIKey is ZQZRNRAJVRRMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c31-27(19-33-24-12-5-2-6-13-24)29-23-11-7-10-21(16-23)26-17-22-18-30(15-14-25(22)34-26)28(32)20-8-3-1-4-9-20/h2,5-7,10-13,16-17,20H,1,3-4,8-9,14-15,18-19H2,(H,29,31).

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 458.56 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-phenoxyacetamide is sourced from PubChem (CID 42785203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).