N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C19H18N4O4 — CID 71704706

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCOc1ccc(C(=O)CNC(=O)COc2ccccc2-n2cnnc2)cc1
InChIInChI=1S/C19H18N4O4/c1-26-15-8-6-14(7-9-15)17(24)10-20-19(25)11-27-18-5-3-2-4-16(18)23-12-21-22-13-23/h2-9,12-13H,10-11H2,1H3,(H,20,25)
InChIKeyYHDAZYBZFOZRFO-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 71704706) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID71704706
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCOc1ccc(C(=O)CNC(=O)COc2ccccc2-n2cnnc2)cc1
InChIInChI=1S/C19H18N4O4/c1-26-15-8-6-14(7-9-15)17(24)10-20-19(25)11-27-18-5-3-2-4-16(18)23-12-21-22-13-23/h2-9,12-13H,10-11H2,1H3,(H,20,25)
InChIKeyYHDAZYBZFOZRFO-UHFFFAOYSA-N
XLogP1.65
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71702741
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
CID 71708879
methyl 5-(2-methylpropyl)-2-[[2-[2-(1,2,4-triazol-4-yl)phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71703925
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 86207294
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 75489295
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 71709074
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 71704706) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is COc1ccc(C(=O)CNC(=O)COc2ccccc2-n2cnnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is YHDAZYBZFOZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-26-15-8-6-14(7-9-15)17(24)10-20-19(25)11-27-18-5-3-2-4-16(18)23-12-21-22-13-23/h2-9,12-13H,10-11H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 71704706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).