4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide

C14H21FN2O3 — CID 120561361

IUPAC4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
SMILESCC(N)CCC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-10(16)2-7-14(19)17-8-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,18H,2,7-9,16H2,1H3,(H,17,19)
InChIKeyOXCFTWWLXKBSNC-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.81
Rot. Bonds8

About 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide

4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide (PubChem CID 120561361) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
PubChem CID120561361
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
SMILESCC(N)CCC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-10(16)2-7-14(19)17-8-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,18H,2,7-9,16H2,1H3,(H,17,19)
InChIKeyOXCFTWWLXKBSNC-UHFFFAOYSA-N
XLogP0.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide (CID 120561361) is 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide is CC(N)CCC(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide?
The InChIKey is OXCFTWWLXKBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(16)2-7-14(19)17-8-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,18H,2,7-9,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide?
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide has a molecular weight of 284.33 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide is sourced from PubChem (CID 120561361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).