3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide

C19H22FNO3 — CID 7927608

IUPAC3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-14-7-8-15(2)18(13-14)23-11-9-19(22)21-10-12-24-17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyYXNJANKETVIWOO-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.41
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide

3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide (PubChem CID 7927608) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
PubChem CID7927608
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-14-7-8-15(2)18(13-14)23-11-9-19(22)21-10-12-24-17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyYXNJANKETVIWOO-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide (CID 7927608) is 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide is Cc1ccc(C)c(OCCC(=O)NCCOc2ccccc2F)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The InChIKey is YXNJANKETVIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-14-7-8-15(2)18(13-14)23-11-9-19(22)21-10-12-24-17-6-4-3-5-16(17)20/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 7927608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).