2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide

C12H17NO4 — CID 82001124

IUPAC2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
SMILESCOc1ccc([C@@H](C)O)c(OC(C)C(N)=O)c1
InChIInChI=1S/C12H17NO4/c1-7(14)10-5-4-9(16-3)6-11(10)17-8(2)12(13)15/h4-8,14H,1-3H3,(H2,13,15)/t7-,8?/m1/s1
InChIKeyHGGCTXMLIVUURY-GVHYBUMESA-N
MW239.27 g/mol
LogP1.00
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide (PubChem CID 82001124) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
PubChem CID82001124
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
SMILESCOc1ccc([C@@H](C)O)c(OC(C)C(N)=O)c1
InChIInChI=1S/C12H17NO4/c1-7(14)10-5-4-9(16-3)6-11(10)17-8(2)12(13)15/h4-8,14H,1-3H3,(H2,13,15)/t7-,8?/m1/s1
InChIKeyHGGCTXMLIVUURY-GVHYBUMESA-N
XLogP1.00
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63366141
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanenitrile
CID 82000965
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide (CID 82001124) is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide is COc1ccc([C@@H](C)O)c(OC(C)C(N)=O)c1.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide?
The InChIKey is HGGCTXMLIVUURY-GVHYBUMESA-N. The full InChI is InChI=1S/C12H17NO4/c1-7(14)10-5-4-9(16-3)6-11(10)17-8(2)12(13)15/h4-8,14H,1-3H3,(H2,13,15)/t7-,8?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide?
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide has a molecular weight of 239.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide is sourced from PubChem (CID 82001124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).