N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

C15H24ClFN2O3 — CID 119733058

IUPACN-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)CCCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O3.ClH/c1-18(15(19)12-17-8-11-20-2)9-3-10-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyOJOCHWLNFXTZGN-UHFFFAOYSA-N
MW334.82 g/mol
LogP1.71
Rot. Bonds10

About N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119733058) has the molecular formula C15H24ClFN2O3 and a molecular weight of 334.82 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
PubChem CID119733058
Molecular FormulaC15H24ClFN2O3
Molecular Weight334.82 g/mol
Exact Mass334.15
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)CCCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O3.ClH/c1-18(15(19)12-17-8-11-20-2)9-3-10-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H
InChIKeyOJOCHWLNFXTZGN-UHFFFAOYSA-N
XLogP1.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 51.71
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-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869912
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119805687
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-2-(methylamino)acetamide
CID 119779578
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (CID 119733058) is N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is COCCNCC(=O)N(C)CCCOc1ccc(F)cc1.Cl.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is OJOCHWLNFXTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3.ClH/c1-18(15(19)12-17-8-11-20-2)9-3-10-21-14-6-4-13(16)5-7-14;/h4-7,17H,3,8-12H2,1-2H3;1H.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119733058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).