2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide

C19H27N3O2 — CID 47000292

IUPAC2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCc1c(C)n[nH]c1C
InChIInChI=1S/C19H27N3O2/c1-5-13(2)16-8-6-7-9-18(16)24-12-19(23)20-11-10-17-14(3)21-22-15(17)4/h6-9,13H,5,10-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYTKGNRFHAAHEEX-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.28
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 47000292) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID47000292
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCCc1c(C)n[nH]c1C
InChIInChI=1S/C19H27N3O2/c1-5-13(2)16-8-6-7-9-18(16)24-12-19(23)20-11-10-17-14(3)21-22-15(17)4/h6-9,13H,5,10-12H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYTKGNRFHAAHEEX-UHFFFAOYSA-N
XLogP3.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
2-(2-butan-2-ylphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51314840
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
2-(2-butan-2-ylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 46449078

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide (CID 47000292) is 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide is CCC(C)c1ccccc1OCC(=O)NCCc1c(C)n[nH]c1C.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is YTKGNRFHAAHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-13(2)16-8-6-7-9-18(16)24-12-19(23)20-11-10-17-14(3)21-22-15(17)4/h6-9,13H,5,10-12H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 47000292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).