4-(4-butylphenyl)-4-oxobutanamide

C14H19NO2 — CID 47319697

IUPAC4-(4-butylphenyl)-4-oxobutanamide
SMILESCCCCc1ccc(C(=O)CCC(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-4-11-5-7-12(8-6-11)13(16)9-10-14(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyLWQSGHBUIYHLNU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds7

About 4-(4-butylphenyl)-4-oxobutanamide

4-(4-butylphenyl)-4-oxobutanamide (PubChem CID 47319697) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(4-butylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-butylphenyl)-4-oxobutanamide
PubChem CID47319697
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(4-butylphenyl)-4-oxobutanamide
SMILESCCCCc1ccc(C(=O)CCC(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-3-4-11-5-7-12(8-6-11)13(16)9-10-14(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyLWQSGHBUIYHLNU-UHFFFAOYSA-N
XLogP2.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
6-bromo-1-(4-butylphenyl)hexan-1-one
CID 146005459
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
1-(4-propylphenyl)decan-1-one
CID 65449493
3-chloro-1-(4-heptylphenyl)propan-1-one
CID 18475165
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-butylphenyl)-4-oxobutanamide (CID 47319697) is 4-(4-butylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-butylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-butylphenyl)-4-oxobutanamide is CCCCc1ccc(C(=O)CCC(N)=O)cc1.
What is the InChIKey of 4-(4-butylphenyl)-4-oxobutanamide?
The InChIKey is LWQSGHBUIYHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-4-11-5-7-12(8-6-11)13(16)9-10-14(15)17/h5-8H,2-4,9-10H2,1H3,(H2,15,17).
What are the key properties of 4-(4-butylphenyl)-4-oxobutanamide?
4-(4-butylphenyl)-4-oxobutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-4-oxobutanamide is sourced from PubChem (CID 47319697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).