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

C15H23FN2O3 — CID 119751723

IUPAC2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-3-10(2)14(17)15(20)18-8-12(19)9-21-13-6-4-11(16)5-7-13/h4-7,10,12,14,19H,3,8-9,17H2,1-2H3,(H,18,20)
InChIKeyAOOOMOHGUPLZKY-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.05
Rot. Bonds8

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

2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide (PubChem CID 119751723) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
PubChem CID119751723
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-3-10(2)14(17)15(20)18-8-12(19)9-21-13-6-4-11(16)5-7-13/h4-7,10,12,14,19H,3,8-9,17H2,1-2H3,(H,18,20)
InChIKeyAOOOMOHGUPLZKY-UHFFFAOYSA-N
XLogP1.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide (CID 119751723) is 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide?
The InChIKey is AOOOMOHGUPLZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-3-10(2)14(17)15(20)18-8-12(19)9-21-13-6-4-11(16)5-7-13/h4-7,10,12,14,19H,3,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide?
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide has a molecular weight of 298.36 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide is sourced from PubChem (CID 119751723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).