N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide

C20H24FNO4 — CID 46437000

IUPACN-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H24FNO4/c1-4-5-12-25-19-11-10-17(24-3)13-18(19)22-20(23)14(2)26-16-8-6-15(21)7-9-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyOQWDSPMGOFXSEU-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.42
Rot. Bonds9

About N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide

N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 46437000) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID46437000
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C20H24FNO4/c1-4-5-12-25-19-11-10-17(24-3)13-18(19)22-20(23)14(2)26-16-8-6-15(21)7-9-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyOQWDSPMGOFXSEU-UHFFFAOYSA-N
XLogP4.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(4-fluoro-2-propoxyphenyl)propanamide
CID 96542067
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide (CID 46437000) is N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide is CCCCOc1ccc(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is OQWDSPMGOFXSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-4-5-12-25-19-11-10-17(24-3)13-18(19)22-20(23)14(2)26-16-8-6-15(21)7-9-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide?
N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 361.41 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 46437000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).