2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C20H21N3O3 — CID 30187265

IUPAC2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-15(2)23-19(12-13-21-23)22-20(24)14-25-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyQFECENRKSPCBBT-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.27
Rot. Bonds7

About 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 30187265) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID30187265
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-15(2)23-19(12-13-21-23)22-20(24)14-25-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyQFECENRKSPCBBT-UHFFFAOYSA-N
XLogP4.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-phenoxybenzoate
CID 7838028
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39903703
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149523

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 30187265) is 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is QFECENRKSPCBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(2)23-19(12-13-21-23)22-20(24)14-25-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 30187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).