N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

C20H22N4O3 — CID 39890185

IUPACN-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(C(C)C)ccc2O)c(-n2cnnc2)c1
InChIInChI=1S/C20H22N4O3/c1-13(2)15-5-6-18(25)16(9-15)23-20(26)10-27-19-7-4-14(3)8-17(19)24-11-21-22-12-24/h4-9,11-13,25H,10H2,1-3H3,(H,23,26)
InChIKeyNYRWYMGHYJKRRN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.42
Rot. Bonds6

About N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 39890185) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID39890185
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(C(C)C)ccc2O)c(-n2cnnc2)c1
InChIInChI=1S/C20H22N4O3/c1-13(2)15-5-6-18(25)16(9-15)23-20(26)10-27-19-7-4-14(3)8-17(19)24-11-21-22-12-24/h4-9,11-13,25H,10H2,1-3H3,(H,23,26)
InChIKeyNYRWYMGHYJKRRN-UHFFFAOYSA-N
XLogP3.42
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 39890234
2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46366675
N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890141
N-(4-ethoxyphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366665
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
N-(3-bromophenyl)-2-[4-butan-2-yl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366703
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 39890185) is N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is Cc1ccc(OCC(=O)Nc2cc(C(C)C)ccc2O)c(-n2cnnc2)c1.
What is the InChIKey of N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is NYRWYMGHYJKRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)15-5-6-18(25)16(9-15)23-20(26)10-27-19-7-4-14(3)8-17(19)24-11-21-22-12-24/h4-9,11-13,25H,10H2,1-3H3,(H,23,26).
What are the key properties of N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-propan-2-ylphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 39890185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).