N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide

C14H19NO2 — CID 54896208

IUPACN-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
SMILESCCc1ccc(C(C)NC(=O)CC(C)=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)11(3)15-14(17)9-10(2)16/h5-8,11H,4,9H2,1-3H3,(H,15,17)
InChIKeyCNFFJIKMPRKLFU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide

N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide (PubChem CID 54896208) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
PubChem CID54896208
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
SMILESCCc1ccc(C(C)NC(=O)CC(C)=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)11(3)15-14(17)9-10(2)16/h5-8,11H,4,9H2,1-3H3,(H,15,17)
InChIKeyCNFFJIKMPRKLFU-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
3-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61251261
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 831599
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide (CID 54896208) is N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide is CCc1ccc(C(C)NC(=O)CC(C)=O)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide?
The InChIKey is CNFFJIKMPRKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-12-5-7-13(8-6-12)11(3)15-14(17)9-10(2)16/h5-8,11H,4,9H2,1-3H3,(H,15,17).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide?
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide is sourced from PubChem (CID 54896208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).