(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

C20H24FNO2 — CID 92671756

IUPAC(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H24FNO2/c1-5-19(24-17-9-7-16(21)8-10-17)20(23)22-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyFKASIPXKWWPYQY-HNAYVOBHSA-N
MW329.42 g/mol
LogP4.48
Rot. Bonds6

About (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 92671756) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
PubChem CID92671756
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H24FNO2/c1-5-19(24-17-9-7-16(21)8-10-17)20(23)22-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1
InChIKeyFKASIPXKWWPYQY-HNAYVOBHSA-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-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (CID 92671756) is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is FKASIPXKWWPYQY-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-5-19(24-17-9-7-16(21)8-10-17)20(23)22-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3,(H,22,23)/t15-,19+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)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 (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 92671756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).