N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide

C12H17FN2O2 — CID 110834214

IUPACN-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(N)CNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(14)8-15-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyIBARNYHHAUGKIC-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds6

About N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide

N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 110834214) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
PubChem CID110834214
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(N)CNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(14)8-15-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyIBARNYHHAUGKIC-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide (CID 110834214) is N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide is CC(N)CNC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is IBARNYHHAUGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(14)8-15-12(16)6-7-17-11-4-2-10(13)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide?
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 110834214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).