5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide

C26H26F3NO4 — CID 100779879

About 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide

5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide (PubChem CID 100779879) has the molecular formula C26H26F3NO4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide
• PubChem CID: 100779879
• Molecular Formula: C26H26F3NO4
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.18
• IUPAC Name: 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide
• SMILES: CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)c2ccccc12
• InChI: InChI=1S/C26H26F3NO4/c1-16(2)34-22-12-11-21(19-9-4-5-10-20(19)22)30-24(31)25(3)14-32-23(33-15-25)17-7-6-8-18(13-17)26(27,28)29/h4-13,16,23H,14-15H2,1-3H3,(H,30,31)
• InChIKey: VKUPVFZXUCNOCN-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide?

The IUPAC name of 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide (CID 100779879) is 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide.

What is the SMILES notation for 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide?

The canonical SMILES for 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide is CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)c2ccccc12.

What is the InChIKey of 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide?

The InChIKey is VKUPVFZXUCNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO4/c1-16(2)34-22-12-11-21(19-9-4-5-10-20(19)22)30-24(31)25(3)14-32-23(33-15-25)17-7-6-8-18(13-17)26(27,28)29/h4-13,16,23H,14-15H2,1-3H3,(H,30,31).

What are the key properties of 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide?

5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).