N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

C16H22N4O — CID 15943524

IUPACN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)Cn2nc(C)nc2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-15(11(2)8-10)18-16(21)12(3)9-20-14(5)17-13(4)19-20/h6-8,12H,9H2,1-5H3,(H,18,21)
InChIKeyRVSMVIBGBKBITE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (PubChem CID 15943524) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
PubChem CID15943524
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)Cn2nc(C)nc2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-7-15(11(2)8-10)18-16(21)12(3)9-20-14(5)17-13(4)19-20/h6-8,12H,9H2,1-5H3,(H,18,21)
InChIKeyRVSMVIBGBKBITE-UHFFFAOYSA-N
XLogP2.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3r,4r)-4-[4-Cyclopropyl-5-[3-(2-Methylpropyl)cyclobutyl]-1,2,4-Triazol-3-Yl]-N-(2,4-Dimethylphenyl)-1-Ethanoyl-Pyrrolidine-3-Carboxamide
CID 121345502
2,2-dimethyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 8502902
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 90130771
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345804
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345862
3-[5-(2-cyclohexylethyl)-4-(2,2-difluorocyclopropyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121345920
(3R,4S)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-methylpiperidine-3-carboxamide
CID 121346140
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346230
N-{[2-(3,5-Dimethyl-4h-1,2,4-Triazol-4-Yl)phenyl]methyl}acetamide
CID 131633051
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
N-(2-Ethyl-6-methyl-phenyl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 648314

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (CID 15943524) is N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)Cn2nc(C)nc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The InChIKey is RVSMVIBGBKBITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-7-15(11(2)8-10)18-16(21)12(3)9-20-14(5)17-13(4)19-20/h6-8,12H,9H2,1-5H3,(H,18,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 15943524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).