N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide

C24H22N4O — CID 1147433

IUPACN-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O/c1-17-10-9-11-18(2)22(17)25-21(29)16-28-24(20-14-7-4-8-15-20)26-23(27-28)19-12-5-3-6-13-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyCDUVWTGHBPVQFP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.87
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide

N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 1147433) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID1147433
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O/c1-17-10-9-11-18(2)22(17)25-21(29)16-28-24(20-14-7-4-8-15-20)26-23(27-28)19-12-5-3-6-13-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyCDUVWTGHBPVQFP-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 995141
N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1068920
2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 855851
2-[5-amino-3-methylsulfanyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 50760774
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62055047
N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836517
N-[4-[1-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-methylbenzamide
CID 23969539
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091
2-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 82194793
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
5-cyclopropyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935426

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (CID 1147433) is N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is CDUVWTGHBPVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-10-9-11-18(2)22(17)25-21(29)16-28-24(20-14-7-4-8-15-20)26-23(27-28)19-12-5-3-6-13-19/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 1147433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).