N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C31H28N4O5 — CID 98396447

About N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 98396447) has the molecular formula C31H28N4O5 and a molecular weight of 536.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
• PubChem CID: 98396447
• Molecular Formula: C31H28N4O5
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.21
• IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
• SMILES: CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2)cc1
• InChI: InChI=1S/C31H28N4O5/c1-3-40-26-16-14-25(15-17-26)33-28(37)21-9-12-24(13-10-21)32-27(36)19-35-29(38)31(2,34-30(35)39)23-11-8-20-6-4-5-7-22(20)18-23/h4-18H,3,19H2,1-2H3,(H,32,36)(H,33,37)(H,34,39)/t31-/m1/s1
• InChIKey: YBKLVPDXTNIAJW-WJOKGBTCSA-N
• XLogP: 4.90
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
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 N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?

The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 98396447) is N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?

The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?

The InChIKey is YBKLVPDXTNIAJW-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H28N4O5/c1-3-40-26-16-14-25(15-17-26)33-28(37)21-9-12-24(13-10-21)32-27(36)19-35-29(38)31(2,34-30(35)39)23-11-8-20-6-4-5-7-22(20)18-23/h4-18H,3,19H2,1-2H3,(H,32,36)(H,33,37)(H,34,39)/t31-/m1/s1.

What are the key properties of N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?

N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 536.59 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-4-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 98396447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).