N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

C20H22N4O3 — CID 16651724

IUPACN-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2cccc(C)c2)c1COC
InChIInChI=1S/C20H22N4O3/c1-4-27-18-11-6-5-10-16(18)21-20(25)19-17(13-26-3)24(23-22-19)15-9-7-8-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyXXTWVWKATXVZHB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.37
Rot. Bonds7

About N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 16651724) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID16651724
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2cccc(C)c2)c1COC
InChIInChI=1S/C20H22N4O3/c1-4-27-18-11-6-5-10-16(18)21-20(25)19-17(13-26-3)24(23-22-19)15-9-7-8-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyXXTWVWKATXVZHB-UHFFFAOYSA-N
XLogP3.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651776
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
5-(methoxymethyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenyltriazole-4-carboxamide
CID 16651287
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 16651724) is N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is CCOc1ccccc1NC(=O)c1nnn(-c2cccc(C)c2)c1COC.
What is the InChIKey of N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is XXTWVWKATXVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-27-18-11-6-5-10-16(18)21-20(25)19-17(13-26-3)24(23-22-19)15-9-7-8-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).