2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H21N3O3 — CID 78772434

IUPAC2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H21N3O3/c1-4-21-13-7-5-6-8-14(13)22-11-16(20)18-15-9-10-17-19(15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyVELFYTGNBRDGPK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.88
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 78772434) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID78772434
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H21N3O3/c1-4-21-13-7-5-6-8-14(13)22-11-16(20)18-15-9-10-17-19(15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyVELFYTGNBRDGPK-UHFFFAOYSA-N
XLogP2.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39903703
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 78772434) is 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CCOc1ccccc1OCC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is VELFYTGNBRDGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-21-13-7-5-6-8-14(13)22-11-16(20)18-15-9-10-17-19(15)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 78772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).