3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide

C20H24FNO4 — CID 18120342

IUPAC3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCOc1cc(CCC(=O)NCCCOc2ccccc2F)cc(OC)c1
InChIInChI=1S/C20H24FNO4/c1-24-16-12-15(13-17(14-16)25-2)8-9-20(23)22-10-5-11-26-19-7-4-3-6-18(19)21/h3-4,6-7,12-14H,5,8-11H2,1-2H3,(H,22,23)
InChIKeyCWQDPNLXXLCIIC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.36
Rot. Bonds10

About 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide

3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide (PubChem CID 18120342) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
PubChem CID18120342
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
SMILESCOc1cc(CCC(=O)NCCCOc2ccccc2F)cc(OC)c1
InChIInChI=1S/C20H24FNO4/c1-24-16-12-15(13-17(14-16)25-2)8-9-20(23)22-10-5-11-26-19-7-4-3-6-18(19)21/h3-4,6-7,12-14H,5,8-11H2,1-2H3,(H,22,23)
InChIKeyCWQDPNLXXLCIIC-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.36
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

3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide (CID 18120342) is 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide is COc1cc(CCC(=O)NCCCOc2ccccc2F)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
The InChIKey is CWQDPNLXXLCIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-24-16-12-15(13-17(14-16)25-2)8-9-20(23)22-10-5-11-26-19-7-4-3-6-18(19)21/h3-4,6-7,12-14H,5,8-11H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide has a molecular weight of 361.41 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 18120342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).