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

C25H29N3O7 — CID 55454924

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

methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (PubChem CID 55454924) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• PubChem CID: 55454924
• Molecular Formula: C25H29N3O7
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.20
• IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• SMILES: COC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)c1ccc(OC)c(OC)c1
• InChI: InChI=1S/C25H29N3O7/c1-15-6-9-17(10-7-15)25(2)23(31)28(24(32)27-25)14-21(29)26-18(13-22(30)35-5)16-8-11-19(33-3)20(12-16)34-4/h6-12,18H,13-14H2,1-5H3,(H,26,29)(H,27,32)
• InChIKey: XCZKJXHWIWOGDP-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (CID 55454924) is methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

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

The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate is COC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)c1ccc(OC)c(OC)c1.

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

The InChIKey is XCZKJXHWIWOGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c1-15-6-9-17(10-7-15)25(2)23(31)28(24(32)27-25)14-21(29)26-18(13-22(30)35-5)16-8-11-19(33-3)20(12-16)34-4/h6-12,18H,13-14H2,1-5H3,(H,26,29)(H,27,32).

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

methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate has a molecular weight of 483.52 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate is sourced from PubChem (CID 55454924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).