4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide

C21H21N3O3 — CID 37239017

IUPAC4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-19-9-3-16(4-10-19)20(25)11-12-21(26)23-17-5-7-18(8-6-17)24-14-13-22-15-24/h3-10,13-15H,2,11-12H2,1H3,(H,23,26)
InChIKeyOIBJOWZFDWMFSE-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.87
Rot. Bonds8

About 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide

4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide (PubChem CID 37239017) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
PubChem CID37239017
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-19-9-3-16(4-10-19)20(25)11-12-21(26)23-17-5-7-18(8-6-17)24-14-13-22-15-24/h3-10,13-15H,2,11-12H2,1H3,(H,23,26)
InChIKeyOIBJOWZFDWMFSE-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
ethyl N-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]carbamate
CID 47078318
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide (CID 37239017) is 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide?
The InChIKey is OIBJOWZFDWMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-19-9-3-16(4-10-19)20(25)11-12-21(26)23-17-5-7-18(8-6-17)24-14-13-22-15-24/h3-10,13-15H,2,11-12H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide has a molecular weight of 363.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 37239017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).