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

C21H24N4O3 — CID 127046482

IUPACN-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2c(C)cccc2OCC)c1C
InChIInChI=1S/C21H24N4O3/c1-5-27-17-12-8-7-11-16(17)25-15(4)20(23-24-25)21(26)22-19-14(3)10-9-13-18(19)28-6-2/h7-13H,5-6H2,1-4H3,(H,22,26)
InChIKeyQLHFERJBCGJDDA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.93
Rot. Bonds7

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

N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 127046482) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID127046482
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2c(C)cccc2OCC)c1C
InChIInChI=1S/C21H24N4O3/c1-5-27-17-12-8-7-11-16(17)25-15(4)20(23-24-25)21(26)22-19-14(3)10-9-13-18(19)28-6-2/h7-13H,5-6H2,1-4H3,(H,22,26)
InChIKeyQLHFERJBCGJDDA-UHFFFAOYSA-N
XLogP3.93
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
(2-methylphenyl)methyl 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27375313
1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
CID 46971316
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (CID 127046482) is N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccccc1-n1nnc(C(=O)Nc2c(C)cccc2OCC)c1C.
What is the InChIKey of N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is QLHFERJBCGJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-27-17-12-8-7-11-16(17)25-15(4)20(23-24-25)21(26)22-19-14(3)10-9-13-18(19)28-6-2/h7-13H,5-6H2,1-4H3,(H,22,26).
What are the key properties of N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 127046482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).