[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

C24H23NO6 — CID 27561308

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (PubChem CID 27561308) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate.

Molecular Properties

• Compound Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
• PubChem CID: 27561308
• Molecular Formula: C24H23NO6
• Molecular Weight: 421.45 g/mol
• Exact Mass: 421.15
• IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
• SMILES: CCN(C(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc2ccccc12
• InChI: InChI=1S/C24H23NO6/c1-3-25(19-10-6-8-16-7-4-5-9-18(16)19)22(26)15-31-24(27)17-13-20(28-2)23-21(14-17)29-11-12-30-23/h4-10,13-14H,3,11-12,15H2,1-2H3
• InChIKey: LAPPIFXLIOUXDX-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.45
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?

The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (CID 27561308) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate.

What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?

The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is CCN(C(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2)c1cccc2ccccc12.

What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?

The InChIKey is LAPPIFXLIOUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-3-25(19-10-6-8-16-7-4-5-9-18(16)19)22(26)15-31-24(27)17-13-20(28-2)23-21(14-17)29-11-12-30-23/h4-10,13-14H,3,11-12,15H2,1-2H3.

What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is sourced from PubChem (CID 27561308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).