2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid

C16H22FNO3 — CID 43529528

IUPAC2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C16H22FNO3/c1-3-16(4-2,15(20)21)11-14(19)18-10-9-12-7-5-6-8-13(12)17/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUEOVGZUWPSUOPK-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.77
Rot. Bonds8

About 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid

2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid (PubChem CID 43529528) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid
PubChem CID43529528
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C16H22FNO3/c1-3-16(4-2,15(20)21)11-14(19)18-10-9-12-7-5-6-8-13(12)17/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUEOVGZUWPSUOPK-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114994555
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid (CID 43529528) is 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NCCc1ccccc1F)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid?
The InChIKey is UEOVGZUWPSUOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-16(4-2,15(20)21)11-14(19)18-10-9-12-7-5-6-8-13(12)17/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid?
2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid has a molecular weight of 295.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43529528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).