2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide

C13H19NO4 — CID 43472225

IUPAC2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
SMILESCCCOc1ccc(CO)c(OCC(=O)NC)c1
InChIInChI=1S/C13H19NO4/c1-3-6-17-11-5-4-10(8-15)12(7-11)18-9-13(16)14-2/h4-5,7,15H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeyUKQLBIODABTOGY-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide

2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide (PubChem CID 43472225) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
PubChem CID43472225
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
SMILESCCCOc1ccc(CO)c(OCC(=O)NC)c1
InChIInChI=1S/C13H19NO4/c1-3-6-17-11-5-4-10(8-15)12(7-11)18-9-13(16)14-2/h4-5,7,15H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeyUKQLBIODABTOGY-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184
(2,4-dipentoxyphenyl)methanol
CID 54794877
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-prop-2-ynylpropanamide
CID 43472169
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide (CID 43472225) is 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide is CCCOc1ccc(CO)c(OCC(=O)NC)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide?
The InChIKey is UKQLBIODABTOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-6-17-11-5-4-10(8-15)12(7-11)18-9-13(16)14-2/h4-5,7,15H,3,6,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide?
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 43472225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).