(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide

C14H20FNO2 — CID 94016182

IUPAC(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)N(CC)CC
InChIInChI=1S/C14H20FNO2/c1-4-13(14(17)16(5-2)6-3)18-12-9-7-11(15)8-10-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyHQRBIENDTSSIMT-ZDUSSCGKSA-N
MW253.32 g/mol
LogP2.85
Rot. Bonds6

About (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide

(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide (PubChem CID 94016182) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
PubChem CID94016182
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)N(CC)CC
InChIInChI=1S/C14H20FNO2/c1-4-13(14(17)16(5-2)6-3)18-12-9-7-11(15)8-10-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyHQRBIENDTSSIMT-ZDUSSCGKSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)butanoyl chloride
CID 51980396
(2S)-2-(4-fluorophenoxy)butanoate
CID 7269182
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
N-ethyl-2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 115771406
(2S)-N,N-diethyl-2-[[(1R)-1-(4-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide
CID 93335886
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
(2S)-3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid
CID 7453420
1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene
CID 58566328
(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
CID 9441258
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide (CID 94016182) is (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)N(CC)CC.
What is the InChIKey of (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide?
The InChIKey is HQRBIENDTSSIMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-13(14(17)16(5-2)6-3)18-12-9-7-11(15)8-10-12/h7-10,13H,4-6H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide?
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 94016182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).