2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide

C20H24FNO2 — CID 53284470

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

About 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide

2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 53284470) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID53284470
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO2/c1-5-19(24-18-11-6-13(2)14(3)12-18)20(23)22-15(4)16-7-9-17(21)10-8-16/h6-12,15,19H,5H2,1-4H3,(H,22,23)
InChIKeyZUASIRYLTMTPJD-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

Analyze 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
2-(3,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165649
(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
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 53284470) is 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is ZUASIRYLTMTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-5-19(24-18-11-6-13(2)14(3)12-18)20(23)22-15(4)16-7-9-17(21)10-8-16/h6-12,15,19H,5H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide?
2-(3,4-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-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 53284470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).