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

C29H32N4O4 — CID 139725586

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

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide (PubChem CID 139725586) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
• PubChem CID: 139725586
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
• SMILES: COc1ccc(NC(=O)Cc2ccc(-c3ccc(-c4nnc(C)o4)cc3C)cc2)cc1OCCN(C)C
• InChI: InChI=1S/C29H32N4O4/c1-19-16-23(29-32-31-20(2)37-29)10-12-25(19)22-8-6-21(7-9-22)17-28(34)30-24-11-13-26(35-5)27(18-24)36-15-14-33(3)4/h6-13,16,18H,14-15,17H2,1-5H3,(H,30,34)
• InChIKey: HRJQOEATCLLGMF-UHFFFAOYSA-N
• XLogP: 5.15
• 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	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide (CID 139725586) is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide.

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

The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide is COc1ccc(NC(=O)Cc2ccc(-c3ccc(-c4nnc(C)o4)cc3C)cc2)cc1OCCN(C)C.

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

The InChIKey is HRJQOEATCLLGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-19-16-23(29-32-31-20(2)37-29)10-12-25(19)22-8-6-21(7-9-22)17-28(34)30-24-11-13-26(35-5)27(18-24)36-15-14-33(3)4/h6-13,16,18H,14-15,17H2,1-5H3,(H,30,34).

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

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 139725586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).