2-[4-(2-ethylbutanoyl)phenyl]acetamide

C14H19NO2 — CID 134539178

IUPAC2-[4-(2-ethylbutanoyl)phenyl]acetamide
SMILESCCC(CC)C(=O)c1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-3-11(4-2)14(17)12-7-5-10(6-8-12)9-13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16)
InChIKeyHLERTDBSXNLYOW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-(2-ethylbutanoyl)phenyl]acetamide

2-[4-(2-ethylbutanoyl)phenyl]acetamide (PubChem CID 134539178) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[4-(2-ethylbutanoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-ethylbutanoyl)phenyl]acetamide
PubChem CID134539178
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[4-(2-ethylbutanoyl)phenyl]acetamide
SMILESCCC(CC)C(=O)c1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-3-11(4-2)14(17)12-7-5-10(6-8-12)9-13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16)
InChIKeyHLERTDBSXNLYOW-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-iodophenyl)butan-1-one
CID 43160317
2-ethyl-1-(4-hexylphenyl)butan-1-one
CID 146007076
3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 61077540
2-ethyl-1-(4-methylsulfanylphenyl)butan-1-one
CID 82165003
3-methyl-1-[4-(2-methylpropanoyl)phenyl]butan-2-one
CID 135216998
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
N-[4-(2-ethylbutanoyl)phenyl]ethanesulfonamide
CID 43161166
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutanoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-ethylbutanoyl)phenyl]acetamide (CID 134539178) is 2-[4-(2-ethylbutanoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-ethylbutanoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-ethylbutanoyl)phenyl]acetamide is CCC(CC)C(=O)c1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(2-ethylbutanoyl)phenyl]acetamide?
The InChIKey is HLERTDBSXNLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-11(4-2)14(17)12-7-5-10(6-8-12)9-13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[4-(2-ethylbutanoyl)phenyl]acetamide?
2-[4-(2-ethylbutanoyl)phenyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutanoyl)phenyl]acetamide is sourced from PubChem (CID 134539178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).