2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

C23H27N3O3 — CID 55970403

IUPAC2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCCOc1ccccc1OCC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C23H27N3O3/c1-3-28-21-13-7-8-14-22(21)29-17-23(27)26(2)15-9-12-19-16-20(25-24-19)18-10-5-4-6-11-18/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,24,25)
InChIKeyGXQIBIMKCQDCFW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.95
Rot. Bonds10

About 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (PubChem CID 55970403) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
PubChem CID55970403
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCCOc1ccccc1OCC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C23H27N3O3/c1-3-28-21-13-7-8-14-22(21)29-17-23(27)26(2)15-9-12-19-16-20(25-24-19)18-10-5-4-6-11-18/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,24,25)
InChIKeyGXQIBIMKCQDCFW-UHFFFAOYSA-N
XLogP3.95
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
4-ethoxy-N-[3-methyl-1-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-1-oxobutan-2-yl]benzamide
CID 55970656
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (CID 55970403) is 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is CCOc1ccccc1OCC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The InChIKey is GXQIBIMKCQDCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-28-21-13-7-8-14-22(21)29-17-23(27)26(2)15-9-12-19-16-20(25-24-19)18-10-5-4-6-11-18/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 55970403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).