methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate

C24H27N3O5 — CID 55454996

About methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate

methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate (PubChem CID 55454996) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

• Compound Name: methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate
• PubChem CID: 55454996
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate
• SMILES: COC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)c1ccc(C)cc1
• InChI: InChI=1S/C24H27N3O5/c1-15-5-9-17(10-6-15)19(13-21(29)32-4)25-20(28)14-27-22(30)24(3,26-23(27)31)18-11-7-16(2)8-12-18/h5-12,19H,13-14H2,1-4H3,(H,25,28)(H,26,31)
• InChIKey: HSPDRMJUCJXYMV-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate?

The IUPAC name of methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate (CID 55454996) is methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate.

What is the SMILES notation for methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate?

The canonical SMILES for methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)c1ccc(C)cc1.

What is the InChIKey of methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate?

The InChIKey is HSPDRMJUCJXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-15-5-9-17(10-6-15)19(13-21(29)32-4)25-20(28)14-27-22(30)24(3,26-23(27)31)18-11-7-16(2)8-12-18/h5-12,19H,13-14H2,1-4H3,(H,25,28)(H,26,31).

What are the key properties of methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate?

methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate has a molecular weight of 437.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55454996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).