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

C18H23N3O5 — CID 55883584

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

methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (PubChem CID 55883584) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• PubChem CID: 55883584
• Molecular Formula: C18H23N3O5
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.16
• IUPAC Name: methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
• SMILES: COC(=O)CCN(C)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
• InChI: InChI=1S/C18H23N3O5/c1-12-5-7-13(8-6-12)18(2)16(24)21(17(25)19-18)11-14(22)20(3)10-9-15(23)26-4/h5-8H,9-11H2,1-4H3,(H,19,25)
• InChIKey: WWJQIINAXVFAQZ-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.40
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
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-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate?

The IUPAC name of methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate (CID 55883584) is methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate.

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

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

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

The InChIKey is WWJQIINAXVFAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12-5-7-13(8-6-12)18(2)16(24)21(17(25)19-18)11-14(22)20(3)10-9-15(23)26-4/h5-8H,9-11H2,1-4H3,(H,19,25).

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

methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate has a molecular weight of 361.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[methyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate is sourced from PubChem (CID 55883584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).