(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium

C23H33N2O3+ — CID 2656821

About (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium (PubChem CID 2656821) has the molecular formula C23H33N2O3+ and a molecular weight of 385.53 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
• PubChem CID: 2656821
• Molecular Formula: C23H33N2O3+
• Molecular Weight: 385.53 g/mol
• Exact Mass: 385.25
• IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
• SMILES: CCOc1ccc(C[NH+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1OC
• InChI: InChI=1S/C23H32N2O3/c1-7-28-20-12-11-18(13-21(20)27-6)14-25(5)15-22(26)24-23-17(4)9-8-10-19(23)16(2)3/h8-13,16H,7,14-15H2,1-6H3,(H,24,26)/p+1
• InChIKey: OMJQLRIDMLEFGV-UHFFFAOYSA-O
• XLogP: 3.18
• TPSA: 52.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.53
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?

The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium (CID 2656821) is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium.

What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?

The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2c(C)cccc2C(C)C)cc1OC.

What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?

The InChIKey is OMJQLRIDMLEFGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32N2O3/c1-7-28-20-12-11-18(13-21(20)27-6)14-25(5)15-22(26)24-23-17(4)9-8-10-19(23)16(2)3/h8-13,16H,7,14-15H2,1-6H3,(H,24,26)/p+1.

What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium has a molecular weight of 385.53 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2656821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).