N-(2-acetyl-4-ethylphenyl)but-2-ynamide

C14H15NO2 — CID 178168009

IUPACN-(2-acetyl-4-ethylphenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(CC)cc1C(C)=O
InChIInChI=1S/C14H15NO2/c1-4-6-14(17)15-13-8-7-11(5-2)9-12(13)10(3)16/h7-9H,5H2,1-3H3,(H,15,17)
InChIKeyPNJCNOYFADBVPL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds3

About N-(2-acetyl-4-ethylphenyl)but-2-ynamide

N-(2-acetyl-4-ethylphenyl)but-2-ynamide (PubChem CID 178168009) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-acetyl-4-ethylphenyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-acetyl-4-ethylphenyl)but-2-ynamide
PubChem CID178168009
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(2-acetyl-4-ethylphenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc(CC)cc1C(C)=O
InChIInChI=1S/C14H15NO2/c1-4-6-14(17)15-13-8-7-11(5-2)9-12(13)10(3)16/h7-9H,5H2,1-3H3,(H,15,17)
InChIKeyPNJCNOYFADBVPL-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(but-2-ynoylamino)-4-ethyl-N-propan-2-ylbenzamide
CID 178167797
2-(but-2-ynoylamino)-5-fluorobenzoic acid
CID 107986445
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
CID 110480431
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
5-[[3-acetyl-4-(1-phenylethenylamino)phenyl]methyl]-2-(1-phenylethenylamino)benzoic acid
CID 142938275
5-ethyl-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 110461098
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4-ethylphenyl)but-2-ynamide?
The IUPAC name of N-(2-acetyl-4-ethylphenyl)but-2-ynamide (CID 178168009) is N-(2-acetyl-4-ethylphenyl)but-2-ynamide.
What is the SMILES notation for N-(2-acetyl-4-ethylphenyl)but-2-ynamide?
The canonical SMILES for N-(2-acetyl-4-ethylphenyl)but-2-ynamide is CC#CC(=O)Nc1ccc(CC)cc1C(C)=O.
What is the InChIKey of N-(2-acetyl-4-ethylphenyl)but-2-ynamide?
The InChIKey is PNJCNOYFADBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-6-14(17)15-13-8-7-11(5-2)9-12(13)10(3)16/h7-9H,5H2,1-3H3,(H,15,17).
What are the key properties of N-(2-acetyl-4-ethylphenyl)but-2-ynamide?
N-(2-acetyl-4-ethylphenyl)but-2-ynamide has a molecular weight of 229.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4-ethylphenyl)but-2-ynamide is sourced from PubChem (CID 178168009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).