2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C24H28N4O3 — CID 34201331

About 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 34201331) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• PubChem CID: 34201331
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• SMILES: CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCc2ccccc21
• InChI: InChI=1S/C24H28N4O3/c1-24(15-14-17-8-4-3-5-9-17)22(30)28(23(31)25-24)26-21(29)16-27(2)20-13-12-18-10-6-7-11-19(18)20/h3-11,20H,12-16H2,1-2H3,(H,25,31)(H,26,29)/t20-,24-/m1/s1
• InChIKey: DDXKRGOMRMMIIJ-HYBUGGRVSA-N
• XLogP: 2.58
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.58
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 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 34201331) is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCc2ccccc21.

What is the InChIKey of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The InChIKey is DDXKRGOMRMMIIJ-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(15-14-17-8-4-3-5-9-17)22(30)28(23(31)25-24)26-21(29)16-27(2)20-13-12-18-10-6-7-11-19(18)20/h3-11,20H,12-16H2,1-2H3,(H,25,31)(H,26,29)/t20-,24-/m1/s1.

What are the key properties of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 34201331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).