4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide

C29H31FN2O5 — CID 144796013

About 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide

4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide (PubChem CID 144796013) has the molecular formula C29H31FN2O5 and a molecular weight of 506.57 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
• PubChem CID: 144796013
• Molecular Formula: C29H31FN2O5
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.22
• IUPAC Name: 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)ccc1OC1CCC1
• InChI: InChI=1S/C29H31FN2O5/c1-17-15-36-27-22(17)14-25(32-26(27)18-7-10-20(30)11-8-18)29(2,34)16-31-28(33)19-9-12-23(24(13-19)35-3)37-21-5-4-6-21/h7-14,17,21,34H,4-6,15-16H2,1-3H3,(H,31,33)
• InChIKey: ZVQMCFKUDIYTLH-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 89.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The IUPAC name of 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide (CID 144796013) is 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide.

What is the SMILES notation for 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The canonical SMILES for 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)ccc1OC1CCC1.

What is the InChIKey of 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

The InChIKey is ZVQMCFKUDIYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O5/c1-17-15-36-27-22(17)14-25(32-26(27)18-7-10-20(30)11-8-18)29(2,34)16-31-28(33)19-9-12-23(24(13-19)35-3)37-21-5-4-6-21/h7-14,17,21,34H,4-6,15-16H2,1-3H3,(H,31,33).

What are the key properties of 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide?

4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide has a molecular weight of 506.57 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide is sourced from PubChem (CID 144796013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).