N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide

C18H18N4O3 — CID 60510860

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
SMILESCOc1ccccc1-c1nc(NC(=O)COCc2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O3/c1-24-15-10-6-5-9-14(15)17-20-18(22-21-17)19-16(23)12-25-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyRZPHYGAJKOZEQJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.64
Rot. Bonds7

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide (PubChem CID 60510860) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
PubChem CID60510860
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
SMILESCOc1ccccc1-c1nc(NC(=O)COCc2ccccc2)n[nH]1
InChIInChI=1S/C18H18N4O3/c1-24-15-10-6-5-9-14(15)17-20-18(22-21-17)19-16(23)12-25-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyRZPHYGAJKOZEQJ-UHFFFAOYSA-N
XLogP2.64
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55850056
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
CID 71709200
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 60511213
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 54772185
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55646181

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide (CID 60510860) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide is COc1ccccc1-c1nc(NC(=O)COCc2ccccc2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide?
The InChIKey is RZPHYGAJKOZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-10-6-5-9-14(15)17-20-18(22-21-17)19-16(23)12-25-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide has a molecular weight of 338.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 60510860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).