2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide

C21H24N4O5 — CID 8570824

About 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 8570824) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
• PubChem CID: 8570824
• Molecular Formula: C21H24N4O5
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.17
• IUPAC Name: 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
• SMILES: COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCC(=O)N(C)C)C3=O)ccc2c1
• InChI: InChI=1S/C21H24N4O5/c1-21(15-7-5-14-10-16(30-4)8-6-13(14)9-15)19(28)25(20(29)23-21)12-17(26)22-11-18(27)24(2)3/h5-10H,11-12H2,1-4H3,(H,22,26)(H,23,29)/t21-/m0/s1
• InChIKey: AQDYXOHFGMEGQR-NRFANRHFSA-N
• XLogP: 0.82
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	0.82
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 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide (CID 8570824) is 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide is COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCC(=O)N(C)C)C3=O)ccc2c1.

What is the InChIKey of 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide?

The InChIKey is AQDYXOHFGMEGQR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-21(15-7-5-14-10-16(30-4)8-6-13(14)9-15)19(28)25(20(29)23-21)12-17(26)22-11-18(27)24(2)3/h5-10H,11-12H2,1-4H3,(H,22,26)(H,23,29)/t21-/m0/s1.

What are the key properties of 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide?

2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 412.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 8570824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).