[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

C29H23NO6 — CID 2312808

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (PubChem CID 2312808) has the molecular formula C29H23NO6 and a molecular weight of 481.50 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

Molecular Properties

• Compound Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
• PubChem CID: 2312808
• Molecular Formula: C29H23NO6
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.15
• IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
• SMILES: O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C29H23NO6/c31-25(21-12-13-26-27(16-21)35-15-14-34-26)18-36-29(33)23-10-3-4-11-24(23)30-28(32)17-20-8-5-7-19-6-1-2-9-22(19)20/h1-13,16H,14-15,17-18H2,(H,30,32)
• InChIKey: JNTSYQZYCGTDKY-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?

The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (CID 2312808) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?

The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2.

What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?

The InChIKey is JNTSYQZYCGTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO6/c31-25(21-12-13-26-27(16-21)35-15-14-34-26)18-36-29(33)23-10-3-4-11-24(23)30-28(32)17-20-8-5-7-19-6-1-2-9-22(19)20/h1-13,16H,14-15,17-18H2,(H,30,32).

What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate has a molecular weight of 481.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 2312808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).