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

C28H36N4O4 — CID 42499228

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

N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 42499228) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
• PubChem CID: 42499228
• Molecular Formula: C28H36N4O4
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.27
• IUPAC Name: N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
• SMILES: CC[C@@]1(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O
• InChI: InChI=1S/C28H36N4O4/c1-4-28(26(34)32(27(35)30-28)18-13-21-7-11-25(36-3)12-8-21)23-14-16-31(17-15-23)19-22-5-9-24(10-6-22)29-20(2)33/h5-12,23H,4,13-19H2,1-3H3,(H,29,33)(H,30,35)/t28-/m0/s1
• InChIKey: ISIQZVBYVYICEG-NDEPHWFRSA-N
• XLogP: 3.81
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
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-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide?

The IUPAC name of N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 42499228) is N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide.

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

The canonical SMILES for N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC[C@@]1(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O.

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

The InChIKey is ISIQZVBYVYICEG-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-4-28(26(34)32(27(35)30-28)18-13-21-7-11-25(36-3)12-8-21)23-14-16-31(17-15-23)19-22-5-9-24(10-6-22)29-20(2)33/h5-12,23H,4,13-19H2,1-3H3,(H,29,33)(H,30,35)/t28-/m0/s1.

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

N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 42499228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).