1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide

C20H22N4O2 — CID 53332625

IUPAC1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cn(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O2/c1-4-26-19-8-6-5-7-16(19)12-21-20(25)18-13-24(23-22-18)17-10-9-14(2)15(3)11-17/h5-11,13H,4,12H2,1-3H3,(H,21,25)
InChIKeyWKCJHLVJNUPBNT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide

1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 53332625) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID53332625
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cn(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O2/c1-4-26-19-8-6-5-7-16(19)12-21-20(25)18-13-24(23-22-18)17-10-9-14(2)15(3)11-17/h5-11,13H,4,12H2,1-3H3,(H,21,25)
InChIKeyWKCJHLVJNUPBNT-UHFFFAOYSA-N
XLogP3.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71873306
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332680
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858206
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92881062
N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
CID 30850404
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70730689
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide (CID 53332625) is 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1cn(-c2ccc(C)c(C)c2)nn1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is WKCJHLVJNUPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-26-19-8-6-5-7-16(19)12-21-20(25)18-13-24(23-22-18)17-10-9-14(2)15(3)11-17/h5-11,13H,4,12H2,1-3H3,(H,21,25).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide?
1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 53332625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).