3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide

C12H17NO3 — CID 63364284

IUPAC3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1ccc([C@@H](C)O)cc1)C(N)=O
InChIInChI=1S/C12H17NO3/c1-8(12(13)15)7-16-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,14H,7H2,1-2H3,(H2,13,15)/t8?,9-/m1/s1
InChIKeyYVZDKHVQTNKKNX-YGPZHTELSA-N
MW223.27 g/mol
LogP1.24
Rot. Bonds5

About 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide

3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide (PubChem CID 63364284) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
PubChem CID63364284
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1ccc([C@@H](C)O)cc1)C(N)=O
InChIInChI=1S/C12H17NO3/c1-8(12(13)15)7-16-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,14H,7H2,1-2H3,(H2,13,15)/t8?,9-/m1/s1
InChIKeyYVZDKHVQTNKKNX-YGPZHTELSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
3-(7-hydroxynaphthalen-2-yl)oxy-2-methylpropanamide
CID 43312351

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide (CID 63364284) is 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide is CC(COc1ccc([C@@H](C)O)cc1)C(N)=O.
What is the InChIKey of 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide?
The InChIKey is YVZDKHVQTNKKNX-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(12(13)15)7-16-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,14H,7H2,1-2H3,(H2,13,15)/t8?,9-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide?
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 63364284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).