2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide

C14H21NO4 — CID 82001811

IUPAC2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc([C@@H](C)O)c(OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(16)12-7-6-11(18-5)8-13(12)19-10(2)14(17)15(3)4/h6-10,16H,1-5H3/t9-,10?/m1/s1
InChIKeyKNGNVQWUWKWLFE-YHMJZVADSA-N
MW267.32 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 82001811) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID82001811
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc([C@@H](C)O)c(OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(16)12-7-6-11(18-5)8-13(12)19-10(2)14(17)15(3)4/h6-10,16H,1-5H3/t9-,10?/m1/s1
InChIKeyKNGNVQWUWKWLFE-YHMJZVADSA-N
XLogP1.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43276278
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanenitrile
CID 82000965
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide (CID 82001811) is 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide is COc1ccc([C@@H](C)O)c(OC(C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is KNGNVQWUWKWLFE-YHMJZVADSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(16)12-7-6-11(18-5)8-13(12)19-10(2)14(17)15(3)4/h6-10,16H,1-5H3/t9-,10?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide?
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 267.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 82001811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).