2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide

C14H21NO5 — CID 78931398

IUPAC2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C14H21NO5/c1-10(16)11-4-5-12(13(8-11)19-3)20-9-14(17)15-6-7-18-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQRKHVGIQGSCLBV-JTQLQIEISA-N
MW283.32 g/mol
LogP0.89
Rot. Bonds8

About 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 78931398) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID78931398
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C14H21NO5/c1-10(16)11-4-5-12(13(8-11)19-3)20-9-14(17)15-6-7-18-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQRKHVGIQGSCLBV-JTQLQIEISA-N
XLogP0.89
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
N-(2-cyanoethyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43503845
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide (CID 78931398) is 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc([C@H](C)O)cc1OC.
What is the InChIKey of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is QRKHVGIQGSCLBV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO5/c1-10(16)11-4-5-12(13(8-11)19-3)20-9-14(17)15-6-7-18-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide?
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 78931398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).