N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide

C15H23FN2O2 — CID 119665882

IUPACN-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
SMILESCCCCC(CN)NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-2-3-4-13(11-17)18-15(19)9-10-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11,17H2,1H3,(H,18,19)
InChIKeyCFMBIPSQAFDGFY-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide

N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide (PubChem CID 119665882) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
PubChem CID119665882
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
SMILESCCCCC(CN)NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-2-3-4-13(11-17)18-15(19)9-10-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11,17H2,1H3,(H,18,19)
InChIKeyCFMBIPSQAFDGFY-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 107144586
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide (CID 119665882) is N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide is CCCCC(CN)NC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is CFMBIPSQAFDGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-2-3-4-13(11-17)18-15(19)9-10-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11,17H2,1H3,(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide?
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 119665882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).