ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate

C15H20FNO3 — CID 82322187

IUPACethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
SMILESCCOC(=O)CC(NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C15H20FNO3/c1-3-20-15(19)10-14(11(2)18)17-9-8-12-4-6-13(16)7-5-12/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyIFQSUQAMVGYXIB-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.87
Rot. Bonds8

About ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate

ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate (PubChem CID 82322187) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
PubChem CID82322187
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate
SMILESCCOC(=O)CC(NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C15H20FNO3/c1-3-20-15(19)10-14(11(2)18)17-9-8-12-4-6-13(16)7-5-12/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyIFQSUQAMVGYXIB-UHFFFAOYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-fluorophenyl)-4-oxo-3-(propylamino)butanoate
CID 82322071
(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
CID 141217094
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 4-(4-fluorophenyl)-4-oxo-3-(prop-2-enylamino)butanoate
CID 82322077
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
ethyl 4-(4-fluoro-3-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82322205

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate?
The IUPAC name of ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate (CID 82322187) is ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate.
What is the SMILES notation for ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate?
The canonical SMILES for ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate is CCOC(=O)CC(NCCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate?
The InChIKey is IFQSUQAMVGYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-20-15(19)10-14(11(2)18)17-9-8-12-4-6-13(16)7-5-12/h4-7,14,17H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate?
ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate has a molecular weight of 281.33 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-fluorophenyl)ethylamino]-4-oxopentanoate is sourced from PubChem (CID 82322187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).