2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide

C19H20N4O2 — CID 711965

IUPAC2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-12-17(24)22-18-20-13-21-23-18/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyGVAOUOYCOUUVHK-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 711965) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID711965
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-12-17(24)22-18-20-13-21-23-18/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyGVAOUOYCOUUVHK-UHFFFAOYSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
2-(4-cyclohexylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936003
2-(4-cyclohexylphenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 953175
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
4-[(2,4-dimethylphenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 2940581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 711965) is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is GVAOUOYCOUUVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)25-12-17(24)22-18-20-13-21-23-18/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 711965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).