2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide

C13H19NO3 — CID 78931532

IUPAC2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C13H19NO3/c1-9(2)14-13(16)8-17-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyYKCTYCWVFXJRMP-JTQLQIEISA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide

2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 78931532) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID78931532
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C13H19NO3/c1-9(2)14-13(16)8-17-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyYKCTYCWVFXJRMP-JTQLQIEISA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
CID 136584911
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide (CID 78931532) is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccccc1[C@H](C)O.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is YKCTYCWVFXJRMP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)14-13(16)8-17-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide?
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 78931532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).