N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide

C14H21FN2O2 — CID 119804736

IUPACN-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-11(10-17-14(18)7-4-8-16-2)19-13-6-3-5-12(15)9-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXSKAUKHNCGCNMH-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.71
Rot. Bonds8

About N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide

N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide (PubChem CID 119804736) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
PubChem CID119804736
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-11(10-17-14(18)7-4-8-16-2)19-13-6-3-5-12(15)9-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXSKAUKHNCGCNMH-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
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
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111681420
methyl 7-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]heptanoate
CID 111681436
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636251
4-amino-N-(2-phenoxypropyl)butanamide;hydrochloride
CID 119295533
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide (CID 119804736) is N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC(C)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide?
The InChIKey is XSKAUKHNCGCNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(10-17-14(18)7-4-8-16-2)19-13-6-3-5-12(15)9-13/h3,5-6,9,11,16H,4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide?
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide has a molecular weight of 268.33 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119804736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).