2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide

C13H19NO4 — CID 78931098

IUPAC2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-8(15)10-5-6-11(12(7-10)17-4)18-9(2)13(16)14-3/h5-9,15H,1-4H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyBENFOCVHSDXEFN-VEDVMXKPSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide

2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide (PubChem CID 78931098) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
PubChem CID78931098
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-8(15)10-5-6-11(12(7-10)17-4)18-9(2)13(16)14-3/h5-9,15H,1-4H3,(H,14,16)/t8-,9?/m1/s1
InChIKeyBENFOCVHSDXEFN-VEDVMXKPSA-N
XLogP1.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 64662178
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide (CID 78931098) is 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc([C@@H](C)O)cc1OC.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is BENFOCVHSDXEFN-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(15)10-5-6-11(12(7-10)17-4)18-9(2)13(16)14-3/h5-9,15H,1-4H3,(H,14,16)/t8-,9?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide?
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 78931098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).