N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide

C18H18N4O2 — CID 71844202

IUPACN-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2ncn[nH]2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-7-8-14(9-13(12)2)21-17(23)10-24-16-6-4-3-5-15(16)18-19-11-20-22-18/h3-9,11H,10H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyFOYCSXXNDMBCSQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.11
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide (PubChem CID 71844202) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
PubChem CID71844202
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2ncn[nH]2)cc1C
InChIInChI=1S/C18H18N4O2/c1-12-7-8-14(9-13(12)2)21-17(23)10-24-16-6-4-3-5-15(16)18-19-11-20-22-18/h3-9,11H,10H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyFOYCSXXNDMBCSQ-UHFFFAOYSA-N
XLogP3.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 2101991
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7167750
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732601
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide (CID 71844202) is N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccccc2-c2ncn[nH]2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The InChIKey is FOYCSXXNDMBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-8-14(9-13(12)2)21-17(23)10-24-16-6-4-3-5-15(16)18-19-11-20-22-18/h3-9,11H,10H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 71844202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).