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

C24H32N2O3 — CID 4126708

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

N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide (PubChem CID 4126708) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide
• PubChem CID: 4126708
• Molecular Formula: C24H32N2O3
• Molecular Weight: 396.53 g/mol
• Exact Mass: 396.24
• IUPAC Name: N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide
• SMILES: CC(=O)N1CCc2oc(-c3ccc(NC(=O)CC(C)CC(C)(C)C)cc3)cc2C1
• InChI: InChI=1S/C24H32N2O3/c1-16(14-24(3,4)5)12-23(28)25-20-8-6-18(7-9-20)22-13-19-15-26(17(2)27)11-10-21(19)29-22/h6-9,13,16H,10-12,14-15H2,1-5H3,(H,25,28)
• InChIKey: WFYYVVQHDDMLJD-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.53
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide (CID 4126708) is N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide.

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

The canonical SMILES for N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide is CC(=O)N1CCc2oc(-c3ccc(NC(=O)CC(C)CC(C)(C)C)cc3)cc2C1.

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

The InChIKey is WFYYVVQHDDMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-16(14-24(3,4)5)12-23(28)25-20-8-6-18(7-9-20)22-13-19-15-26(17(2)27)11-10-21(19)29-22/h6-9,13,16H,10-12,14-15H2,1-5H3,(H,25,28).

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

N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide has a molecular weight of 396.53 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-acetyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)phenyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 4126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).