N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide

C24H22N4O2 — CID 1029164

IUPACN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C24H22N4O2/c1-17-8-6-7-11-21(17)23-26-24(30-2)27-28(23)20-14-12-19(13-15-20)25-22(29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyWSRJGSDYESIJIN-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide (PubChem CID 1029164) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
PubChem CID1029164
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C24H22N4O2/c1-17-8-6-7-11-21(17)23-26-24(30-2)27-28(23)20-14-12-19(13-15-20)25-22(29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyWSRJGSDYESIJIN-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

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Related Compounds

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
CID 1029177
N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029301
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
CID 42778412
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
N-[4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026902
N-[4-[5-(4-butylphenyl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
CID 70921071
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 4173586
2,6-dimethoxy-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1029329
3,5-dimethoxy-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4049573
(2S)-2-chloro-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 1029331
N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylbutanamide
CID 4061544

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide (CID 1029164) is N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide is COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide?
The InChIKey is WSRJGSDYESIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-8-6-7-11-21(17)23-26-24(30-2)27-28(23)20-14-12-19(13-15-20)25-22(29)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide?
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-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-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 1029164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).