N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C23H27N3O4 — CID 7565952

About N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7565952) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 7565952
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@](C)(Cc2ccccc2OC)C1=O
• InChI: InChI=1S/C23H27N3O4/c1-5-16-11-8-9-15(2)20(16)24-19(27)14-26-21(28)23(3,25-22(26)29)13-17-10-6-7-12-18(17)30-4/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,29)/t23-/m0/s1
• InChIKey: ZAMIGMOTWGMREF-QHCPKHFHSA-N
• XLogP: 3.06
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7565952) is N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@](C)(Cc2ccccc2OC)C1=O.

What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is ZAMIGMOTWGMREF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-16-11-8-9-15(2)20(16)24-19(27)14-26-21(28)23(3,25-22(26)29)13-17-10-6-7-12-18(17)30-4/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,29)/t23-/m0/s1.

What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-6-methylphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7565952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).