4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide

C20H23NO3 — CID 110493382

IUPAC4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-14-24-18-10-8-17(9-11-18)21-20(23)13-12-19(22)16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyTYTZRYNMFDWGNK-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.39
Rot. Bonds8

About 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide

4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide (PubChem CID 110493382) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
PubChem CID110493382
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-3-14-24-18-10-8-17(9-11-18)21-20(23)13-12-19(22)16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyTYTZRYNMFDWGNK-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide (CID 110493382) is 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide is CCCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide?
The InChIKey is TYTZRYNMFDWGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-14-24-18-10-8-17(9-11-18)21-20(23)13-12-19(22)16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide?
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide has a molecular weight of 325.41 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 110493382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).