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

C25H29N3O7 — CID 55878079

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

ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (PubChem CID 55878079) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• PubChem CID: 55878079
• Molecular Formula: C25H29N3O7
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.20
• IUPAC Name: ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• SMILES: CCOC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O)c1cccc(OC)c1
• InChI: InChI=1S/C25H29N3O7/c1-5-35-22(30)14-20(16-7-6-8-19(13-16)34-4)26-21(29)15-28-23(31)25(2,27-24(28)32)17-9-11-18(33-3)12-10-17/h6-13,20H,5,14-15H2,1-4H3,(H,26,29)(H,27,32)
• InChIKey: IZVIHVDHQIISRQ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	2.28
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 ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate?

The IUPAC name of ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (CID 55878079) is ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

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

The canonical SMILES for ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate is CCOC(=O)CC(NC(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O)c1cccc(OC)c1.

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

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

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

ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate has a molecular weight of 483.52 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate is sourced from PubChem (CID 55878079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).