(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

C20H24FNO4 — CID 93488009

IUPAC(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24FNO4/c1-5-17(26-16-9-7-15(21)8-10-16)20(23)22-13(2)14-6-11-18(24-3)19(12-14)25-4/h6-13,17H,5H2,1-4H3,(H,22,23)/t13-,17-/m0/s1
InChIKeyWDGIYTTVRFBTLB-GUYCJALGSA-N
MW361.41 g/mol
LogP3.88
Rot. Bonds8

About (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide

(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 93488009) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
PubChem CID93488009
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24FNO4/c1-5-17(26-16-9-7-15(21)8-10-16)20(23)22-13(2)14-6-11-18(24-3)19(12-14)25-4/h6-13,17H,5H2,1-4H3,(H,22,23)/t13-,17-/m0/s1
InChIKeyWDGIYTTVRFBTLB-GUYCJALGSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(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
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
(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)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide (CID 93488009) is (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is WDGIYTTVRFBTLB-GUYCJALGSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-5-17(26-16-9-7-15(21)8-10-16)20(23)22-13(2)14-6-11-18(24-3)19(12-14)25-4/h6-13,17H,5H2,1-4H3,(H,22,23)/t13-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide?
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 361.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 93488009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).