2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

C22H23N3O5 — CID 9484095

About 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9484095) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
• PubChem CID: 9484095
• Molecular Formula: C22H23N3O5
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.16
• IUPAC Name: 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
• SMILES: C[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O
• InChI: InChI=1S/C22H23N3O5/c1-14(15-7-5-4-6-8-15)24(3)19(26)12-25-20(27)22(2,23-21(25)28)16-9-10-17-18(11-16)30-13-29-17/h4-11,14H,12-13H2,1-3H3,(H,23,28)/t14-,22-/m1/s1
• InChIKey: MYXQQOMKNBLPQU-JLCFBVMHSA-N
• XLogP: 2.40
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
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-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?

The IUPAC name of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide (CID 9484095) is 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?

The canonical SMILES for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is C[C@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O.

What is the InChIKey of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?

The InChIKey is MYXQQOMKNBLPQU-JLCFBVMHSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(15-7-5-4-6-8-15)24(3)19(26)12-25-20(27)22(2,23-21(25)28)16-9-10-17-18(11-16)30-13-29-17/h4-11,14H,12-13H2,1-3H3,(H,23,28)/t14-,22-/m1/s1.

What are the key properties of 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide?

2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9484095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).