N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C22H23N3O6 — CID 71825761

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 71825761) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 71825761
• Molecular Formula: C22H23N3O6
• Molecular Weight: 425.44 g/mol
• Exact Mass: 425.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1
• InChI: InChI=1S/C22H23N3O6/c1-29-16-5-2-14(3-6-16)8-9-25-21(27)17(24-22(25)28)13-20(26)23-15-4-7-18-19(12-15)31-11-10-30-18/h2-7,12,17H,8-11,13H2,1H3,(H,23,26)(H,24,28)/t17-/m0/s1
• InChIKey: FPGYZFSSIKPTHZ-KRWDZBQOSA-N
• XLogP: 1.96
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.44
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 71825761) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The InChIKey is FPGYZFSSIKPTHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-29-16-5-2-14(3-6-16)8-9-25-21(27)17(24-22(25)28)13-20(26)23-15-4-7-18-19(12-15)31-11-10-30-18/h2-7,12,17H,8-11,13H2,1H3,(H,23,26)(H,24,28)/t17-/m0/s1.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 71825761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).