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

C31H36N4O4 — CID 139725608

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

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide (PubChem CID 139725608) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide
• PubChem CID: 139725608
• Molecular Formula: C31H36N4O4
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.27
• IUPAC Name: N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide
• SMILES: CCN(CC)CCOc1cc(NC(=O)Cc2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC
• InChI: InChI=1S/C31H36N4O4/c1-6-35(7-2)16-17-38-29-20-26(13-15-28(29)37-5)33-30(36)19-23-8-10-24(11-9-23)27-14-12-25(18-21(27)3)31-32-22(4)39-34-31/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,33,36)
• InChIKey: SQJODWHDXCQRQY-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide (CID 139725608) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide.

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

The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide is CCN(CC)CCOc1cc(NC(=O)Cc2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC.

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

The InChIKey is SQJODWHDXCQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-6-35(7-2)16-17-38-29-20-26(13-15-28(29)37-5)33-30(36)19-23-8-10-24(11-9-23)27-14-12-25(18-21(27)3)31-32-22(4)39-34-31/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,33,36).

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

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide has a molecular weight of 528.65 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 139725608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).