[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

C24H25N2O5+ — CID 9054302

About [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (PubChem CID 9054302) has the molecular formula C24H25N2O5+ and a molecular weight of 421.47 g/mol. Its IUPAC name is [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

Molecular Properties

• Compound Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
• PubChem CID: 9054302
• Molecular Formula: C24H25N2O5+
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.18
• IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
• SMILES: COc1ccc2cc(C[NH+](C)CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1
• InChI: InChI=1S/C24H24N2O5/c1-15(27)20-10-22-23(31-14-30-22)11-21(20)25-24(28)13-26(2)12-16-4-5-18-9-19(29-3)7-6-17(18)8-16/h4-11H,12-14H2,1-3H3,(H,25,28)/p+1
• InChIKey: UVOWTAJNJPYEFP-UHFFFAOYSA-O
• XLogP: 2.43
• TPSA: 78.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?

The IUPAC name of [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (CID 9054302) is [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

What is the SMILES notation for [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?

The canonical SMILES for [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is COc1ccc2cc(C[NH+](C)CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1.

What is the InChIKey of [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?

The InChIKey is UVOWTAJNJPYEFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O5/c1-15(27)20-10-22-23(31-14-30-22)11-21(20)25-24(28)13-26(2)12-16-4-5-18-9-19(29-3)7-6-17(18)8-16/h4-11H,12-14H2,1-3H3,(H,25,28)/p+1.

What are the key properties of [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium has a molecular weight of 421.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9054302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).