N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide

C13H19FN2O2 — CID 119995301

IUPACN-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(CN)CNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-10(8-15)9-16-13(17)6-7-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyMTSXCKNDFPMACM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.31
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide

N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 119995301) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
PubChem CID119995301
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
SMILESCC(CN)CNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-10(8-15)9-16-13(17)6-7-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyMTSXCKNDFPMACM-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119997074
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide (CID 119995301) is N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide is CC(CN)CNC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is MTSXCKNDFPMACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(8-15)9-16-13(17)6-7-18-12-4-2-11(14)3-5-12/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide?
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 119995301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).