4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide

C16H21N3O3 — CID 7638259

IUPAC4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H21N3O3/c1-3-21-13-7-4-5-8-14(13)22-12-6-9-16(20)17-15-10-11-19(2)18-15/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,17,18,20)
InChIKeyIPUBZZLLXUYXGZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.62
Rot. Bonds8

About 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide

4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide (PubChem CID 7638259) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
PubChem CID7638259
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H21N3O3/c1-3-21-13-7-4-5-8-14(13)22-12-6-9-16(20)17-15-10-11-19(2)18-15/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,17,18,20)
InChIKeyIPUBZZLLXUYXGZ-UHFFFAOYSA-N
XLogP2.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
4-(1-methylindazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)butanamide
CID 100820937
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537
N-(1-methylpyrazol-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 18152526
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948152
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide (CID 7638259) is 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide?
The InChIKey is IPUBZZLLXUYXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-21-13-7-4-5-8-14(13)22-12-6-9-16(20)17-15-10-11-19(2)18-15/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide?
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 7638259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).