N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide

C32H36FN3O6 — CID 144796394

About N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide

N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide (PubChem CID 144796394) has the molecular formula C32H36FN3O6 and a molecular weight of 577.65 g/mol. Its IUPAC name is N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide.

Molecular Properties

• Compound Name: N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide
• PubChem CID: 144796394
• Molecular Formula: C32H36FN3O6
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.26
• IUPAC Name: N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide
• SMILES: CNCCC(C=O)Oc1ccc(C(=O)NCC2(c3cc4c(c(-c5ccc(F)c(C)c5)n3)OCC4(C)C)CO2)cc1OC
• InChI: InChI=1S/C32H36FN3O6/c1-19-12-20(6-8-24(19)33)28-29-23(31(2,3)17-40-29)14-27(36-28)32(18-41-32)16-35-30(38)21-7-9-25(26(13-21)39-5)42-22(15-37)10-11-34-4/h6-9,12-15,22,34H,10-11,16-18H2,1-5H3,(H,35,38)
• InChIKey: YDKFDCGCUNSFOF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 111.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide?

The IUPAC name of N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide (CID 144796394) is N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide.

What is the SMILES notation for N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide?

The canonical SMILES for N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide is CNCCC(C=O)Oc1ccc(C(=O)NCC2(c3cc4c(c(-c5ccc(F)c(C)c5)n3)OCC4(C)C)CO2)cc1OC.

What is the InChIKey of N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide?

The InChIKey is YDKFDCGCUNSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O6/c1-19-12-20(6-8-24(19)33)28-29-23(31(2,3)17-40-29)14-27(36-28)32(18-41-32)16-35-30(38)21-7-9-25(26(13-21)39-5)42-22(15-37)10-11-34-4/h6-9,12-15,22,34H,10-11,16-18H2,1-5H3,(H,35,38).

What are the key properties of N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide?

N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide has a molecular weight of 577.65 g/mol, XLogP of 4.09, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-3-methoxy-4-[4-(methylamino)-1-oxobutan-2-yl]oxybenzamide is sourced from PubChem (CID 144796394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).