ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate

C14H18FNO3 — CID 82322076

IUPACethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
SMILESCCNC(CC(=O)OCC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-16-12(9-13(17)19-4-2)14(18)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyUSQIZRUKAXKXGS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.94
Rot. Bonds7

About ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate

ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 82322076) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID82322076
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
SMILESCCNC(CC(=O)OCC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-3-16-12(9-13(17)19-4-2)14(18)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3
InChIKeyUSQIZRUKAXKXGS-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-fluorophenyl)-4-oxo-3-(propylamino)butanoate
CID 82322071
ethyl 4-(4-fluorophenyl)-4-oxo-3-(prop-2-enylamino)butanoate
CID 82322077
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
ethyl 4-(4-fluoro-3-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82322205
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
CID 82322187
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 2-[1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfonylacetate
CID 64636356
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate (CID 82322076) is ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate is CCNC(CC(=O)OCC)C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is USQIZRUKAXKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-16-12(9-13(17)19-4-2)14(18)10-5-7-11(15)8-6-10/h5-8,12,16H,3-4,9H2,1-2H3.
What are the key properties of ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate?
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 267.30 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 82322076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).