2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

C21H24N4O4 — CID 9465491

About 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (PubChem CID 9465491) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
• PubChem CID: 9465491
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
• SMILES: CC[C@]1(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C1=O
• InChI: InChI=1S/C21H24N4O4/c1-4-21(2)19(28)25(20(29)23-21)13-18(27)24(3)12-17(26)22-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4,12-13H2,1-3H3,(H,22,26)(H,23,29)/t21-/m0/s1
• InChIKey: ABBPGMAEJJWWNG-NRFANRHFSA-N
• XLogP: 1.96
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	1.96
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-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?

The IUPAC name of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (CID 9465491) is 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.

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

The canonical SMILES for 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is CC[C@]1(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C1=O.

What is the InChIKey of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?

The InChIKey is ABBPGMAEJJWWNG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-21(2)19(28)25(20(29)23-21)13-18(27)24(3)12-17(26)22-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4,12-13H2,1-3H3,(H,22,26)(H,23,29)/t21-/m0/s1.

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

2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9465491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).