N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide

C34H27N3O8 — CID 43819941

About N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide

N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 43819941) has the molecular formula C34H27N3O8 and a molecular weight of 605.60 g/mol. Its IUPAC name is N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
• PubChem CID: 43819941
• Molecular Formula: C34H27N3O8
• Molecular Weight: 605.60 g/mol
• Exact Mass: 605.18
• IUPAC Name: N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide
• SMILES: Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C34H27N3O8/c1-20-6-2-3-7-22(20)16-37(30(38)17-36-25-9-5-4-8-24(25)32(39)34(36)41)31(21-10-12-26-28(14-21)44-18-42-26)33(40)35-23-11-13-27-29(15-23)45-19-43-27/h2-15,31H,16-19H2,1H3,(H,35,40)
• InChIKey: NYTGULFDEXICIC-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 123.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.60
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide?

The IUPAC name of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide (CID 43819941) is N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide?

The canonical SMILES for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide is Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2.

What is the InChIKey of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide?

The InChIKey is NYTGULFDEXICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O8/c1-20-6-2-3-7-22(20)16-37(30(38)17-36-25-9-5-4-8-24(25)32(39)34(36)41)31(21-10-12-26-28(14-21)44-18-42-26)33(40)35-23-11-13-27-29(15-23)45-19-43-27/h2-15,31H,16-19H2,1H3,(H,35,40).

What are the key properties of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide?

N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 605.60 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 43819941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).