N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C19H22FNO4 — CID 18120320

IUPACN-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCCOc1ccccc1F
InChIInChI=1S/C19H22FNO4/c1-14-8-9-17(18(12-14)23-2)25-13-19(22)21-10-5-11-24-16-7-4-3-6-15(16)20/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,22)
InChIKeySGPZEMQMWNCRTJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.11
Rot. Bonds9

About N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 18120320) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID18120320
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCCOc1ccccc1F
InChIInChI=1S/C19H22FNO4/c1-14-8-9-17(18(12-14)23-2)25-13-19(22)21-10-5-11-24-16-7-4-3-6-15(16)20/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,22)
InChIKeySGPZEMQMWNCRTJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 18120320) is N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is SGPZEMQMWNCRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-14-8-9-17(18(12-14)23-2)25-13-19(22)21-10-5-11-24-16-7-4-3-6-15(16)20/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 347.39 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 18120320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).