4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide

C23H25N3O3 — CID 134000599

IUPAC4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-18(27)20-9-11-22(12-10-20)29-15-5-8-23(28)24-14-13-19-16-25-26(17-19)21-6-3-2-4-7-21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,24,28)
InChIKeyIHSKLWIKJJWPAK-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.59
Rot. Bonds10

About 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide

4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide (PubChem CID 134000599) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
PubChem CID134000599
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-18(27)20-9-11-22(12-10-20)29-15-5-8-23(28)24-14-13-19-16-25-26(17-19)21-6-3-2-4-7-21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,24,28)
InChIKeyIHSKLWIKJJWPAK-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.59
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

N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111410599
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide (CID 134000599) is 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide is CC(=O)c1ccc(OCCCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is IHSKLWIKJJWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-18(27)20-9-11-22(12-10-20)29-15-5-8-23(28)24-14-13-19-16-25-26(17-19)21-6-3-2-4-7-21/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,24,28).
What are the key properties of 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide?
4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 391.47 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 134000599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).