N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide

C24H28N4O4 — CID 121078766

About N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide

N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 121078766) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide
• PubChem CID: 121078766
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide
• SMILES: COc1ccc(-c2nn(CCNC(=O)c3ccc(OC(C)C)cc3)c(=O)n2C2CC2)cc1
• InChI: InChI=1S/C24H28N4O4/c1-16(2)32-21-12-6-18(7-13-21)23(29)25-14-15-27-24(30)28(19-8-9-19)22(26-27)17-4-10-20(31-3)11-5-17/h4-7,10-13,16,19H,8-9,14-15H2,1-3H3,(H,25,29)
• InChIKey: JBSQNYKNGVWDQD-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide (CID 121078766) is N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide is COc1ccc(-c2nn(CCNC(=O)c3ccc(OC(C)C)cc3)c(=O)n2C2CC2)cc1.

What is the InChIKey of N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide?

The InChIKey is JBSQNYKNGVWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16(2)32-21-12-6-18(7-13-21)23(29)25-14-15-27-24(30)28(19-8-9-19)22(26-27)17-4-10-20(31-3)11-5-17/h4-7,10-13,16,19H,8-9,14-15H2,1-3H3,(H,25,29).

What are the key properties of N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide?

N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 436.51 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 121078766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).