2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide

C12H17NO3 — CID 28561994

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(CO)c1
InChIInChI=1S/C12H17NO3/c1-2-6-13-12(15)9-16-11-5-3-4-10(7-11)8-14/h3-5,7,14H,2,6,8-9H2,1H3,(H,13,15)
InChIKeyLGKHMPDJWSERKL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.08
Rot. Bonds6

About 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide

2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide (PubChem CID 28561994) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
PubChem CID28561994
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(CO)c1
InChIInChI=1S/C12H17NO3/c1-2-6-13-12(15)9-16-11-5-3-4-10(7-11)8-14/h3-5,7,14H,2,6,8-9H2,1H3,(H,13,15)
InChIKeyLGKHMPDJWSERKL-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962208
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 106486086
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398096

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide (CID 28561994) is 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide?
The InChIKey is LGKHMPDJWSERKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-6-13-12(15)9-16-11-5-3-4-10(7-11)8-14/h3-5,7,14H,2,6,8-9H2,1H3,(H,13,15).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide?
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 28561994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).