N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide

C19H18N4O4 — CID 46902231

IUPACN-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C19H18N4O4/c1-13(24)20-15-4-8-18(9-5-15)27-12-16-10-23(22-21-16)11-19(26)14-2-6-17(25)7-3-14/h2-10,25H,11-12H2,1H3,(H,20,24)
InChIKeyVUEAVUACOOVNMN-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.40
Rot. Bonds7

About N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide

N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide (PubChem CID 46902231) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide
PubChem CID46902231
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C19H18N4O4/c1-13(24)20-15-4-8-18(9-5-15)27-12-16-10-23(22-21-16)11-19(26)14-2-6-17(25)7-3-14/h2-10,25H,11-12H2,1H3,(H,20,24)
InChIKeyVUEAVUACOOVNMN-UHFFFAOYSA-N
XLogP2.40
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-Acetyl-2-methoxyphenoxy)methyl]-1-triazolyl]-1-(4-hydroxyphenyl)ethanone
CID 45480010
1-(4-Hydroxyphenyl)-2-[4-[(2-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480011
1-(4-Hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone
CID 45480014
1-(4-Hydroxyphenyl)-2-[4-[(3-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480015
2-[[1-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-triazolyl]methoxy]benzonitrile
CID 45480016
2-[4-[(2,6-Dimethylphenoxy)methyl]-1-triazolyl]-1-(4-hydroxyphenyl)ethanone
CID 45480017
1-(4-Hydroxyphenyl)-2-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]triazol-1-yl]ethanone
CID 45480019
2-[4-[(4-Acetyl-2,6-dimethylphenoxy)methyl]triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 45480025
1-(4-Hydroxyphenyl)-2-[4-[(3-methyl-4-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480027
2-[4-[(4-Benzoylphenoxy)methyl]triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 45480029
1-[4-[[1-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-triazolyl]methoxy]phenyl]-1-propanone
CID 45480030
1-(4-Hydroxyphenyl)-2-[4-[(4-methoxyphenoxy)methyl]-1-triazolyl]ethanone
CID 45480031

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide (CID 46902231) is N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide?
The InChIKey is VUEAVUACOOVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-13(24)20-15-4-8-18(9-5-15)27-12-16-10-23(22-21-16)11-19(26)14-2-6-17(25)7-3-14/h2-10,25H,11-12H2,1H3,(H,20,24).
What are the key properties of N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide?
N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 46902231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).