4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide

C14H19NO2 — CID 94261400

IUPAC4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO2/c1-4-15-14(17)8-7-13(16)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyRNJMVAFZFFHUOP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide (PubChem CID 94261400) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
PubChem CID94261400
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19NO2/c1-4-15-14(17)8-7-13(16)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyRNJMVAFZFFHUOP-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
11-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]undecanoic acid
CID 108796694
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
CID 94266976
4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide (CID 94261400) is 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide is CCNC(=O)CCC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide?
The InChIKey is RNJMVAFZFFHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15-14(17)8-7-13(16)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide is sourced from PubChem (CID 94261400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).