N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane

C23H30N4O2 — CID 169248286

IUPACN-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
SMILESCC.COc1ccc(-n2nnc(C(=O)Nc3cccc(C(C)(C)C)c3)c2C)cc1
InChIInChI=1S/C21H24N4O2.C2H6/c1-14-19(23-24-25(14)17-9-11-18(27-5)12-10-17)20(26)22-16-8-6-7-15(13-16)21(2,3)4;1-2/h6-13H,1-5H3,(H,22,26);1-2H3
InChIKeyJRNYPWNAWILHQS-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.16
Rot. Bonds4

About N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane

N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane (PubChem CID 169248286) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
PubChem CID169248286
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
SMILESCC.COc1ccc(-n2nnc(C(=O)Nc3cccc(C(C)(C)C)c3)c2C)cc1
InChIInChI=1S/C21H24N4O2.C2H6/c1-14-19(23-24-25(14)17-9-11-18(27-5)12-10-17)20(26)22-16-8-6-7-15(13-16)21(2,3)4;1-2/h6-13H,1-5H3,(H,22,26);1-2H3
InChIKeyJRNYPWNAWILHQS-UHFFFAOYSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
1-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 2144863
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
1-[4-(difluoromethoxy)phenyl]-N-(3-hydroxyphenyl)-5-methyltriazole-4-carboxamide
CID 91885855
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
N-[3-tert-butyl-5-(methylamino)phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169248314
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane?
The IUPAC name of N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane (CID 169248286) is N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane.
What is the SMILES notation for N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane?
The canonical SMILES for N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane is CC.COc1ccc(-n2nnc(C(=O)Nc3cccc(C(C)(C)C)c3)c2C)cc1.
What is the InChIKey of N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane?
The InChIKey is JRNYPWNAWILHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.C2H6/c1-14-19(23-24-25(14)17-9-11-18(27-5)12-10-17)20(26)22-16-8-6-7-15(13-16)21(2,3)4;1-2/h6-13H,1-5H3,(H,22,26);1-2H3.
What are the key properties of N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane?
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane has a molecular weight of 394.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane is sourced from PubChem (CID 169248286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).