ethyl 4-(4-ethylanilino)-4-oxobutanoate

C14H19NO3 — CID 60636835

IUPACethyl 4-(4-ethylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H19NO3/c1-3-11-5-7-12(8-6-11)15-13(16)9-10-14(17)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIJSRKDVCJBYYJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds6

About ethyl 4-(4-ethylanilino)-4-oxobutanoate

ethyl 4-(4-ethylanilino)-4-oxobutanoate (PubChem CID 60636835) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-(4-ethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethylanilino)-4-oxobutanoate
PubChem CID60636835
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 4-(4-ethylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C14H19NO3/c1-3-11-5-7-12(8-6-11)15-13(16)9-10-14(17)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyIJSRKDVCJBYYJX-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711023
ethyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate
CID 17193984
ethyl 4-(4-methylsulfanylanilino)-4-oxobutanoate
CID 9179743
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
ethyl 4-[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]anilino]-4-oxobutanoate
CID 70060248
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 9088083
ethyl 4-(3-iodo-4-methylanilino)-4-oxobutanoate
CID 9088231
octyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711030
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylanilino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(4-ethylanilino)-4-oxobutanoate (CID 60636835) is ethyl 4-(4-ethylanilino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(4-ethylanilino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(4-ethylanilino)-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1ccc(CC)cc1.
What is the InChIKey of ethyl 4-(4-ethylanilino)-4-oxobutanoate?
The InChIKey is IJSRKDVCJBYYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11-5-7-12(8-6-11)15-13(16)9-10-14(17)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-(4-ethylanilino)-4-oxobutanoate?
ethyl 4-(4-ethylanilino)-4-oxobutanoate has a molecular weight of 249.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylanilino)-4-oxobutanoate is sourced from PubChem (CID 60636835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).