2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide

C13H19NO4 — CID 82002018

IUPAC2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO4/c1-9(15)11-6-5-10(17-4)7-12(11)18-8-13(16)14(2)3/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1
InChIKeyQIYSZVVHXKYHEL-VIFPVBQESA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide

2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 82002018) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID82002018
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO4/c1-9(15)11-6-5-10(17-4)7-12(11)18-8-13(16)14(2)3/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1
InChIKeyQIYSZVVHXKYHEL-VIFPVBQESA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 78932583
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylacetamide
CID 63366000
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide (CID 82002018) is 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide is COc1ccc([C@H](C)O)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is QIYSZVVHXKYHEL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(15)11-6-5-10(17-4)7-12(11)18-8-13(16)14(2)3/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide?
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 82002018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).