2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C20H22N4O2 — CID 100830161

IUPAC2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(COc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H22N4O2/c1-15-6-8-17(9-7-15)11-21-20(25)13-24-12-18(22-23-24)14-26-19-5-3-4-16(2)10-19/h3-10,12H,11,13-14H2,1-2H3,(H,21,25)
InChIKeyHEMCRJZPWLMAOR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.79
Rot. Bonds7

About 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 100830161) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID100830161
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(COc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C20H22N4O2/c1-15-6-8-17(9-7-15)11-21-20(25)13-24-12-18(22-23-24)14-26-19-5-3-4-16(2)10-19/h3-10,12H,11,13-14H2,1-2H3,(H,21,25)
InChIKeyHEMCRJZPWLMAOR-UHFFFAOYSA-N
XLogP2.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
1-(4-ethylpiperazin-1-yl)-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830216
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]ethanone
CID 100830210
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110210643
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 100830284
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 100830161) is 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2cc(COc3cccc(C)c3)nn2)cc1.
What is the InChIKey of 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HEMCRJZPWLMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-6-8-17(9-7-15)11-21-20(25)13-24-12-18(22-23-24)14-26-19-5-3-4-16(2)10-19/h3-10,12H,11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 100830161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).