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

C25H34N2O4 — CID 42784469

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

N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide (PubChem CID 42784469) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide.

Molecular Properties

• Compound Name: N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide
• PubChem CID: 42784469
• Molecular Formula: C25H34N2O4
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.25
• IUPAC Name: N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide
• SMILES: COCC(=O)N1CCc2oc(-c3ccc(NC(=O)CC(C)CC(C)(C)C)cc3)cc2C1
• InChI: InChI=1S/C25H34N2O4/c1-17(14-25(2,3)4)12-23(28)26-20-8-6-18(7-9-20)22-13-19-15-27(24(29)16-30-5)11-10-21(19)31-22/h6-9,13,17H,10-12,14-16H2,1-5H3,(H,26,28)
• InChIKey: PANPGCXXLJKNMO-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide (CID 42784469) is N-[4-[5-(2-methoxyacetyl)-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-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide?

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

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

The InChIKey is PANPGCXXLJKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17(14-25(2,3)4)12-23(28)26-20-8-6-18(7-9-20)22-13-19-15-27(24(29)16-30-5)11-10-21(19)31-22/h6-9,13,17H,10-12,14-16H2,1-5H3,(H,26,28).

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

N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide has a molecular weight of 426.56 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 42784469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).