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

C21H24N4O2 — CID 16649287

IUPAC1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3CC)c2C)cc1
InChIInChI=1S/C21H24N4O2/c1-5-16-9-7-8-14(3)19(16)22-21(26)20-15(4)25(24-23-20)17-10-12-18(13-11-17)27-6-2/h7-13H,5-6H2,1-4H3,(H,22,26)
InChIKeyBCWPKMIDOOBEFY-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds6

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

1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649287) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649287
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3CC)c2C)cc1
InChIInChI=1S/C21H24N4O2/c1-5-16-9-7-8-14(3)19(16)22-21(26)20-15(4)25(24-23-20)17-10-12-18(13-11-17)27-6-2/h7-13H,5-6H2,1-4H3,(H,22,26)
InChIKeyBCWPKMIDOOBEFY-UHFFFAOYSA-N
XLogP4.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
N-(4-ethoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 7184521
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 23610595
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
1-(3-bromophenyl)-N-(2,5-diethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55875233
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858206

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide (CID 16649287) is 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3CC)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is BCWPKMIDOOBEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-16-9-7-8-14(3)19(16)22-21(26)20-15(4)25(24-23-20)17-10-12-18(13-11-17)27-6-2/h7-13H,5-6H2,1-4H3,(H,22,26).
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).