N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide

C19H20N4O — CID 50881359

IUPACN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-3-16-11-17(23-12-20-21-13-23)9-14(2)19(16)22-18(24)10-15-7-5-4-6-8-15/h4-9,11-13H,3,10H2,1-2H3,(H,22,24)
InChIKeyHMZCRGPTAPJKQY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds5

About N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide (PubChem CID 50881359) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
PubChem CID50881359
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-3-16-11-17(23-12-20-21-13-23)9-14(2)19(16)22-18(24)10-15-7-5-4-6-8-15/h4-9,11-13H,3,10H2,1-2H3,(H,22,24)
InChIKeyHMZCRGPTAPJKQY-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 50880888
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide
CID 50880797
2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
CID 139426275
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22777048
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide (CID 50881359) is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide is CCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is HMZCRGPTAPJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-16-11-17(23-12-20-21-13-23)9-14(2)19(16)22-18(24)10-15-7-5-4-6-8-15/h4-9,11-13H,3,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide?
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 320.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 50881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).