N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide

C12H16FNO3 — CID 71994274

IUPACN-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-9(7-14-12(15)8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJUXXKVMTHNIWRT-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide

N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide (PubChem CID 71994274) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
PubChem CID71994274
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-9(7-14-12(15)8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJUXXKVMTHNIWRT-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-4-[[(2S)-2-(4-fluorophenoxy)propyl]amino]-2-methyl-4-oxobutanoate
CID 96542660
4-[3-[2-(4-fluorophenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119186689
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
CID 120611352
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636214
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
methyl 3-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111678437
N-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111678242
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide (CID 71994274) is N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide is COCC(=O)NCC(C)Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide?
The InChIKey is JUXXKVMTHNIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9(7-14-12(15)8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide?
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide has a molecular weight of 241.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide is sourced from PubChem (CID 71994274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).