2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C16H17NO4 — CID 103945081

IUPAC2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(COc1ccccc1O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H17NO4/c18-10-13(12-6-2-1-3-7-12)17-16(20)11-21-15-9-5-4-8-14(15)19/h1-9,13,18-19H,10-11H2,(H,17,20)/t13-/m1/s1
InChIKeyXHGJMMOBQAWKRF-CYBMUJFWSA-N
MW287.31 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 103945081) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID103945081
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(COc1ccccc1O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H17NO4/c18-10-13(12-6-2-1-3-7-12)17-16(20)11-21-15-9-5-4-8-14(15)19/h1-9,13,18-19H,10-11H2,(H,17,20)/t13-/m1/s1
InChIKeyXHGJMMOBQAWKRF-CYBMUJFWSA-N
XLogP1.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107861749
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
2-(2-hydroxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 78813413
2-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-phenylacetamide
CID 78840056
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 103945081) is 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is O=C(COc1ccccc1O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is XHGJMMOBQAWKRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c18-10-13(12-6-2-1-3-7-12)17-16(20)11-21-15-9-5-4-8-14(15)19/h1-9,13,18-19H,10-11H2,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 287.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 103945081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).