2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide

C20H24FNO2 — CID 53289006

IUPAC2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO2/c1-5-18(24-19-11-6-13(2)12-14(19)3)20(23)22-15(4)16-7-9-17(21)10-8-16/h6-12,15,18H,5H2,1-4H3,(H,22,23)
InChIKeyYPBVHLVTGIMCRP-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.48
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide

2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 53289006) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID53289006
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO2/c1-5-18(24-19-11-6-13(2)12-14(19)3)20(23)22-15(4)16-7-9-17(21)10-8-16/h6-12,15,18H,5H2,1-4H3,(H,22,23)
InChIKeyYPBVHLVTGIMCRP-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 53289006) is 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide is CCC(Oc1ccc(C)cc1C)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is YPBVHLVTGIMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-5-18(24-19-11-6-13(2)12-14(19)3)20(23)22-15(4)16-7-9-17(21)10-8-16/h6-12,15,18H,5H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 329.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 53289006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).