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

C26H28N2O4 — CID 42784034

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

N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 42784034) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• PubChem CID: 42784034
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide
• SMILES: CC(C)CC(=O)N1CCc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)cc2C1
• InChI: InChI=1S/C26H28N2O4/c1-18(2)13-26(30)28-12-11-23-20(16-28)15-24(32-23)19-7-6-8-21(14-19)27-25(29)17-31-22-9-4-3-5-10-22/h3-10,14-15,18H,11-13,16-17H2,1-2H3,(H,27,29)
• InChIKey: NJHBBCRRXNDZQE-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide (CID 42784034) is N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide is CC(C)CC(=O)N1CCc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)cc2C1.

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

The InChIKey is NJHBBCRRXNDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)13-26(30)28-12-11-23-20(16-28)15-24(32-23)19-7-6-8-21(14-19)27-25(29)17-31-22-9-4-3-5-10-22/h3-10,14-15,18H,11-13,16-17H2,1-2H3,(H,27,29).

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

N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 432.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 42784034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).