3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide

C20H22N4O4 — CID 53090148

About 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide (PubChem CID 53090148) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
• PubChem CID: 53090148
• Molecular Formula: C20H22N4O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.16
• IUPAC Name: 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
• SMILES: COc1ccc(-c2n[nH]c(CCNC(=O)c3cc(OC)cc(OC)c3)n2)cc1
• InChI: InChI=1S/C20H22N4O4/c1-26-15-6-4-13(5-7-15)19-22-18(23-24-19)8-9-21-20(25)14-10-16(27-2)12-17(11-14)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)(H,22,23,24)
• InChIKey: NSCNULCZNCSFHM-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide (CID 53090148) is 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide is COc1ccc(-c2n[nH]c(CCNC(=O)c3cc(OC)cc(OC)c3)n2)cc1.

What is the InChIKey of 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?

The InChIKey is NSCNULCZNCSFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-15-6-4-13(5-7-15)19-22-18(23-24-19)8-9-21-20(25)14-10-16(27-2)12-17(11-14)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)(H,22,23,24).

What are the key properties of 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?

3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 53090148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).