2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C23H27N3O2 — CID 43052084

IUPAC2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18(2)21-7-4-5-8-22(21)28-17-23(27)24-15-13-19-9-11-20(12-10-19)26-16-6-14-25-26/h4-12,14,16,18H,3,13,15,17H2,1-2H3,(H,24,27)
InChIKeyXJSQDAZOWYEUAJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.12
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 43052084) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID43052084
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18(2)21-7-4-5-8-22(21)28-17-23(27)24-15-13-19-9-11-20(12-10-19)26-16-6-14-25-26/h4-12,14,16,18H,3,13,15,17H2,1-2H3,(H,24,27)
InChIKeyXJSQDAZOWYEUAJ-UHFFFAOYSA-N
XLogP4.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 47000292
2-(2-butan-2-ylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51314840
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31002817

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 43052084) is 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is CCC(C)c1ccccc1OCC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is XJSQDAZOWYEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-18(2)21-7-4-5-8-22(21)28-17-23(27)24-15-13-19-9-11-20(12-10-19)26-16-6-14-25-26/h4-12,14,16,18H,3,13,15,17H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 43052084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).