2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C19H20N4O3 — CID 78860159

IUPAC2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)15(9-17)10-19(24)22-16-5-3-14(4-6-16)11-23-13-20-12-21-23/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyAESLXFPFAHCAAR-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 78860159) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID78860159
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)15(9-17)10-19(24)22-16-5-3-14(4-6-16)11-23-13-20-12-21-23/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyAESLXFPFAHCAAR-UHFFFAOYSA-N
XLogP2.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
2-(2,5-dimethoxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845002
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-(3,4-dichlorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86929677
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
CID 71701709
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 78860159) is 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is COc1ccc(OC)c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is AESLXFPFAHCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)15(9-17)10-19(24)22-16-5-3-14(4-6-16)11-23-13-20-12-21-23/h3-9,12-13H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 78860159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).