3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid

C28H26N4O6 — CID 57236555

About 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid

3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid (PubChem CID 57236555) has the molecular formula C28H26N4O6 and a molecular weight of 514.54 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid.

Molecular Properties

• Compound Name: 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid
• PubChem CID: 57236555
• Molecular Formula: C28H26N4O6
• Molecular Weight: 514.54 g/mol
• Exact Mass: 514.19
• IUPAC Name: 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid
• SMILES: COc1ccc(C(=O)NC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)nc(OC)n2)C(=O)O)cc1
• InChI: InChI=1S/C28H26N4O6/c1-18-29-26(37-3)31-27(30-18)38-23(25(34)35)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)32-24(33)19-14-16-22(36-2)17-15-19/h4-17,23H,1-3H3,(H,32,33)(H,34,35)
• InChIKey: UYUWQIAHUBJSHF-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 132.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.54
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid?

The IUPAC name of 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid (CID 57236555) is 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid.

What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid?

The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid is COc1ccc(C(=O)NC(c2ccccc2)(c2ccccc2)C(Oc2nc(C)nc(OC)n2)C(=O)O)cc1.

What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid?

The InChIKey is UYUWQIAHUBJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O6/c1-18-29-26(37-3)31-27(30-18)38-23(25(34)35)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)32-24(33)19-14-16-22(36-2)17-15-19/h4-17,23H,1-3H3,(H,32,33)(H,34,35).

What are the key properties of 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid?

3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid has a molecular weight of 514.54 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid is sourced from PubChem (CID 57236555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).