N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

C26H31N5O4 — CID 16580785

About N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 16580785) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
• PubChem CID: 16580785
• Molecular Formula: C26H31N5O4
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.24
• IUPAC Name: N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
• SMILES: CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)C1=O
• InChI: InChI=1S/C26H31N5O4/c1-26(15-12-19-8-4-2-5-9-19)24(34)31(25(35)28-26)29-22(32)18-30-16-13-21(14-17-30)27-23(33)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,27,33)(H,28,35)(H,29,32)
• InChIKey: USTRNQYEWUVMNU-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	1.86
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-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?

The IUPAC name of N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 16580785) is N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide.

What is the SMILES notation for N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?

The canonical SMILES for N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)C1=O.

What is the InChIKey of N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?

The InChIKey is USTRNQYEWUVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-26(15-12-19-8-4-2-5-9-19)24(34)31(25(35)28-26)29-22(32)18-30-16-13-21(14-17-30)27-23(33)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,27,33)(H,28,35)(H,29,32).

What are the key properties of N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide?

N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 477.57 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 16580785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).