(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

C23H30N3O4+ — CID 8694839

About (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (PubChem CID 8694839) has the molecular formula C23H30N3O4+ and a molecular weight of 412.51 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.

Molecular Properties

• Compound Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
• PubChem CID: 8694839
• Molecular Formula: C23H30N3O4+
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.22
• IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
• SMILES: CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC
• InChI: InChI=1S/C23H29N3O4/c1-4-30-20-12-7-17(14-21(20)29-3)15-25(2)16-22(27)24-18-8-10-19(11-9-18)26-13-5-6-23(26)28/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,24,27)/p+1
• InChIKey: ZQPBYLFYEWNDHR-UHFFFAOYSA-O
• XLogP: 1.87
• TPSA: 72.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?

The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium (CID 8694839) is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium.

What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?

The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is CCOc1ccc(C[NH+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC.

What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?

The InChIKey is ZQPBYLFYEWNDHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O4/c1-4-30-20-12-7-17(14-21(20)29-3)15-25(2)16-22(27)24-18-8-10-19(11-9-18)26-13-5-6-23(26)28/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,24,27)/p+1.

What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium?

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium has a molecular weight of 412.51 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium is sourced from PubChem (CID 8694839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).