4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide

C21H24N2O4 — CID 55846229

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-20(25)22-16-7-9-17(10-8-16)23-21(26)14-13-19(24)15-5-11-18(12-6-15)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQQGHGCZWLOOHOL-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.04
Rot. Bonds9

About 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide (PubChem CID 55846229) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
PubChem CID55846229
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-20(25)22-16-7-9-17(10-8-16)23-21(26)14-13-19(24)15-5-11-18(12-6-15)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQQGHGCZWLOOHOL-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
CID 37239017
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide (CID 55846229) is 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide?
The InChIKey is QQGHGCZWLOOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-20(25)22-16-7-9-17(10-8-16)23-21(26)14-13-19(24)15-5-11-18(12-6-15)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide has a molecular weight of 368.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 55846229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).