4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide

C28H29F4N3O6 — CID 134323392

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide (PubChem CID 134323392) has the molecular formula C28H29F4N3O6 and a molecular weight of 579.55 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide
• PubChem CID: 134323392
• Molecular Formula: C28H29F4N3O6
• Molecular Weight: 579.55 g/mol
• Exact Mass: 579.20
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide
• SMILES: COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)C)c3)n2)C(F)(F)F)ccc1OCC(N)=O
• InChI: InChI=1S/C28H29F4N3O6/c1-15(2)18-11-16(5-7-19(18)29)25-21(39-3)9-10-23(35-25)27(38,28(30,31)32)14-34-26(37)17-6-8-20(22(12-17)40-4)41-13-24(33)36/h5-12,15,38H,13-14H2,1-4H3,(H2,33,36)(H,34,37)
• InChIKey: FXTXWGHZQPDPLB-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 133.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.55
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide?

The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide (CID 134323392) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide.

What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide?

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide is COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.

What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide?

The InChIKey is FXTXWGHZQPDPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N3O6/c1-15(2)18-11-16(5-7-19(18)29)25-21(39-3)9-10-23(35-25)27(38,28(30,31)32)14-34-26(37)17-6-8-20(22(12-17)40-4)41-13-24(33)36/h5-12,15,38H,13-14H2,1-4H3,(H2,33,36)(H,34,37).

What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide?

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide has a molecular weight of 579.55 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-propan-2-ylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 134323392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).