N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide

C24H22N4O2 — CID 118721222

IUPACN-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2ncn(-c3cc(C)ccc3NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-8-13-21(26-23(29)15-18-6-4-3-5-7-18)22(14-17)28-16-25-24(27-28)19-9-11-20(30-2)12-10-19/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyWFRMZJFVYDBEAO-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.43
Rot. Bonds6

About N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide

N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide (PubChem CID 118721222) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide
PubChem CID118721222
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2ncn(-c3cc(C)ccc3NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-8-13-21(26-23(29)15-18-6-4-3-5-7-18)22(14-17)28-16-25-24(27-28)19-9-11-20(30-2)12-10-19/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyWFRMZJFVYDBEAO-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide (CID 118721222) is N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide is COc1ccc(-c2ncn(-c3cc(C)ccc3NC(=O)Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide?
The InChIKey is WFRMZJFVYDBEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-8-13-21(26-23(29)15-18-6-4-3-5-7-18)22(14-17)28-16-25-24(27-28)19-9-11-20(30-2)12-10-19/h3-14,16H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide?
N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide has a molecular weight of 398.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 118721222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).