3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide

C11H15NO3 — CID 78930528

IUPAC3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESC[C@H](O)c1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C11H15NO3/c1-8(13)9-2-4-10(5-3-9)15-7-6-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyQLWHITULHLMSOV-QMMMGPOBSA-N
MW209.24 g/mol
LogP0.99
Rot. Bonds5

About 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide

3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 78930528) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID78930528
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESC[C@H](O)c1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C11H15NO3/c1-8(13)9-2-4-10(5-3-9)15-7-6-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyQLWHITULHLMSOV-QMMMGPOBSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78932628
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (CID 78930528) is 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide is C[C@H](O)c1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is QLWHITULHLMSOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)9-2-4-10(5-3-9)15-7-6-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 209.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 78930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).