N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H26N4O3 — CID 7884022

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7884022) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 7884022
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O
• InChI: InChI=1S/C21H26N4O3/c1-13(2)20(3,12-22)23-17(26)11-25-18(27)21(4,24-19(25)28)16-9-8-14-6-5-7-15(14)10-16/h8-10,13H,5-7,11H2,1-4H3,(H,23,26)(H,24,28)/t20-,21+/m1/s1
• InChIKey: HQXOUNDCCHVANZ-RTWAWAEBSA-N
• XLogP: 2.00
• TPSA: 102.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.00
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-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7884022) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O.

What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is HQXOUNDCCHVANZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)20(3,12-22)23-17(26)11-25-18(27)21(4,24-19(25)28)16-9-8-14-6-5-7-15(14)10-16/h8-10,13H,5-7,11H2,1-4H3,(H,23,26)(H,24,28)/t20-,21+/m1/s1.

What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7884022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).