3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid

C31H36N2O5 — CID 68870666

About 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid

3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid (PubChem CID 68870666) has the molecular formula C31H36N2O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid.

Molecular Properties

• Compound Name: 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
• PubChem CID: 68870666
• Molecular Formula: C31H36N2O5
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.26
• IUPAC Name: 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid
• SMILES: Cc1ccc(CN2CC(CCOc3ccc(CC(C)(Oc4ccccc4)C(=O)O)cc3)N(C)C2=O)cc1C
• InChI: InChI=1S/C31H36N2O5/c1-22-10-11-25(18-23(22)2)20-33-21-26(32(4)30(33)36)16-17-37-27-14-12-24(13-15-27)19-31(3,29(34)35)38-28-8-6-5-7-9-28/h5-15,18,26H,16-17,19-21H2,1-4H3,(H,34,35)
• InChIKey: DMIXVSZQNJJEAU-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid?

The IUPAC name of 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid (CID 68870666) is 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid.

What is the SMILES notation for 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid?

The canonical SMILES for 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid is Cc1ccc(CN2CC(CCOc3ccc(CC(C)(Oc4ccccc4)C(=O)O)cc3)N(C)C2=O)cc1C.

What is the InChIKey of 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid?

The InChIKey is DMIXVSZQNJJEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O5/c1-22-10-11-25(18-23(22)2)20-33-21-26(32(4)30(33)36)16-17-37-27-14-12-24(13-15-27)19-31(3,29(34)35)38-28-8-6-5-7-9-28/h5-15,18,26H,16-17,19-21H2,1-4H3,(H,34,35).

What are the key properties of 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid?

3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid has a molecular weight of 516.64 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[1-[(3,4-dimethylphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoic acid is sourced from PubChem (CID 68870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).