4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide

C14H21FN2O3 — CID 120593422

IUPAC4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H21FN2O3/c1-10(20-12-5-3-4-11(15)6-12)9-17-14(18)7-13(8-16)19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeySISVAXPEURZCKZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.07
Rot. Bonds8

About 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide

4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide (PubChem CID 120593422) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
PubChem CID120593422
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H21FN2O3/c1-10(20-12-5-3-4-11(15)6-12)9-17-14(18)7-13(8-16)19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeySISVAXPEURZCKZ-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328
methyl 3-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111680931
methyl (2R)-4-[[(2S)-2-(4-fluorophenoxy)propyl]amino]-2-methyl-4-oxobutanoate
CID 96542660
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
CID 119952317
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide
CID 119335650
3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804745

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide (CID 120593422) is 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)Oc1cccc(F)c1.
What is the InChIKey of 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide?
The InChIKey is SISVAXPEURZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(20-12-5-3-4-11(15)6-12)9-17-14(18)7-13(8-16)19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide?
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide has a molecular weight of 284.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide is sourced from PubChem (CID 120593422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).