N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

C20H22N4O2 — CID 16649239

IUPACN-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2OC)c1C
InChIInChI=1S/C20H22N4O2/c1-5-15-10-8-9-13(2)18(15)21-20(25)19-14(3)24(23-22-19)16-11-6-7-12-17(16)26-4/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyGNXYVYGQEZCKCD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.71
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649239) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649239
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2OC)c1C
InChIInChI=1S/C20H22N4O2/c1-5-15-10-8-9-13(2)18(15)21-20(25)19-14(3)24(23-22-19)16-11-6-7-12-17(16)26-4/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyGNXYVYGQEZCKCD-UHFFFAOYSA-N
XLogP3.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11547151
1-benzyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11576528
1-[(4-methoxyphenyl)methyl]-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11613105
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11663604
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11670421
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11720119
5-amino-1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16023470
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
5-Amino-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 20853783
N-[5-tert-butyl-2-[(2S)-pentan-2-yl]oxyphenyl]-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 171352643
[1-(4-fluorophenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(2-methoxyphenyl)carboxami de
CID 7223511
1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 7246370

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 16649239) is N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2OC)c1C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is GNXYVYGQEZCKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-5-15-10-8-9-13(2)18(15)21-20(25)19-14(3)24(23-22-19)16-11-6-7-12-17(16)26-4/h6-12H,5H2,1-4H3,(H,21,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).