2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide

C29H32N4O4 — CID 67662710

About 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide

2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 67662710) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide
• PubChem CID: 67662710
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide
• SMILES: CCc1cc(-c2noc(C)n2)ccc1-c1ccc(C(=O)Nc2ccc(OC)cc2)c(OCCN(C)C)c1
• InChI: InChI=1S/C29H32N4O4/c1-6-20-17-22(28-30-19(2)37-32-28)8-13-25(20)21-7-14-26(27(18-21)36-16-15-33(3)4)29(34)31-23-9-11-24(35-5)12-10-23/h7-14,17-18H,6,15-16H2,1-5H3,(H,31,34)
• InChIKey: XOXZJPJQQNWAHP-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide?

The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide (CID 67662710) is 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide.

What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide?

The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide is CCc1cc(-c2noc(C)n2)ccc1-c1ccc(C(=O)Nc2ccc(OC)cc2)c(OCCN(C)C)c1.

What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide?

The InChIKey is XOXZJPJQQNWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-6-20-17-22(28-30-19(2)37-32-28)8-13-25(20)21-7-14-26(27(18-21)36-16-15-33(3)4)29(34)31-23-9-11-24(35-5)12-10-23/h7-14,17-18H,6,15-16H2,1-5H3,(H,31,34).

What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide?

2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 500.60 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)ethoxy]-4-[2-ethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 67662710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).