methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate

C24H24N2O6 — CID 34073127

About methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate (PubChem CID 34073127) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
• PubChem CID: 34073127
• Molecular Formula: C24H24N2O6
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.16
• IUPAC Name: methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
• SMILES: COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1
• InChI: InChI=1S/C24H24N2O6/c1-30-23(28)13-25-24(29)15-6-8-16(9-7-15)26-22(27)14-31-17-10-11-21-19(12-17)18-4-2-3-5-20(18)32-21/h6-12H,2-5,13-14H2,1H3,(H,25,29)(H,26,27)
• InChIKey: PWWYVVWXMJLQLA-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 106.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate?

The IUPAC name of methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate (CID 34073127) is methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate.

What is the SMILES notation for methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate?

The canonical SMILES for methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1.

What is the InChIKey of methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate?

The InChIKey is PWWYVVWXMJLQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-30-23(28)13-25-24(29)15-6-8-16(9-7-15)26-22(27)14-31-17-10-11-21-19(12-17)18-4-2-3-5-20(18)32-21/h6-12H,2-5,13-14H2,1H3,(H,25,29)(H,26,27).

What are the key properties of methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate?

methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 436.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 34073127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).