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

C15H23NO3 — CID 78931290

IUPAC2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyHNYXZNCUFNIVAU-KIYNQFGBSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds7

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

2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide (PubChem CID 78931290) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
PubChem CID78931290
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyHNYXZNCUFNIVAU-KIYNQFGBSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-pentan-2-ylacetamide
CID 63651841
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2-amino-3-hydroxyphenoxy)-N-pentan-2-ylacetamide
CID 114764380
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide (CID 78931290) is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccccc1[C@H](C)O.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is HNYXZNCUFNIVAU-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-7-11(2)16-15(18)10-19-14-9-6-5-8-13(14)12(3)17/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18)/t11?,12-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide?
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 265.35 g/mol, XLogP of 2.42, 7 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-pentan-2-ylacetamide is sourced from PubChem (CID 78931290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).