[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C24H19NO7 — CID 2579993

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 2579993) has the molecular formula C24H19NO7 and a molecular weight of 433.42 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

• Compound Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
• PubChem CID: 2579993
• Molecular Formula: C24H19NO7
• Molecular Weight: 433.42 g/mol
• Exact Mass: 433.12
• IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
• SMILES: COc1cc2c(cc1NC(=O)COC(=O)c1ccc3c(c1)OCCO3)oc1ccccc12
• InChI: InChI=1S/C24H19NO7/c1-28-21-11-16-15-4-2-3-5-18(15)32-20(16)12-17(21)25-23(26)13-31-24(27)14-6-7-19-22(10-14)30-9-8-29-19/h2-7,10-12H,8-9,13H2,1H3,(H,25,26)
• InChIKey: FNIIBCMAKUOEEN-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 96.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.42
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 2579993) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is COc1cc2c(cc1NC(=O)COC(=O)c1ccc3c(c1)OCCO3)oc1ccccc12.

What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?

The InChIKey is FNIIBCMAKUOEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7/c1-28-21-11-16-15-4-2-3-5-18(15)32-20(16)12-17(21)25-23(26)13-31-24(27)14-6-7-19-22(10-14)30-9-8-29-19/h2-7,10-12H,8-9,13H2,1H3,(H,25,26).

What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 433.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 2579993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).