N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide

C19H22FNO4 — CID 48586236

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc(CCCNC(=O)COc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO4/c1-23-17-10-9-14(12-18(17)24-2)6-5-11-21-19(22)13-25-16-8-4-3-7-15(16)20/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,21,22)
InChIKeyKLOWANIRDXXXIZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.97
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 48586236) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
PubChem CID48586236
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
SMILESCOc1ccc(CCCNC(=O)COc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO4/c1-23-17-10-9-14(12-18(17)24-2)6-5-11-21-19(22)13-25-16-8-4-3-7-15(16)20/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,21,22)
InChIKeyKLOWANIRDXXXIZ-UHFFFAOYSA-N
XLogP2.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.97
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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512454
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide (CID 48586236) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide is COc1ccc(CCCNC(=O)COc2ccccc2F)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is KLOWANIRDXXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-23-17-10-9-14(12-18(17)24-2)6-5-11-21-19(22)13-25-16-8-4-3-7-15(16)20/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 48586236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).