ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium

C20H26FN2O3+ — CID 9349205

About ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9349205) has the molecular formula C20H26FN2O3+ and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
• PubChem CID: 9349205
• Molecular Formula: C20H26FN2O3+
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.19
• IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
• SMILES: CC[NH+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1
• InChI: InChI=1S/C20H25FN2O3/c1-4-23(13-16-7-10-19(26-3)18(21)11-16)14-20(24)22-12-15-5-8-17(25-2)9-6-15/h5-11H,4,12-14H2,1-3H3,(H,22,24)/p+1
• InChIKey: ZBGDKRTWONQWPZ-UHFFFAOYSA-O
• XLogP: 1.56
• TPSA: 52.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?

The IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 9349205) is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium.

What is the SMILES notation for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?

The canonical SMILES for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1.

What is the InChIKey of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?

The InChIKey is ZBGDKRTWONQWPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25FN2O3/c1-4-23(13-16-7-10-19(26-3)18(21)11-16)14-20(24)22-12-15-5-8-17(25-2)9-6-15/h5-11H,4,12-14H2,1-3H3,(H,22,24)/p+1.

What are the key properties of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 361.44 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9349205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).