2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide

C14H21NO3 — CID 112612370

IUPAC2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cccc1CO
InChIInChI=1S/C14H21NO3/c1-4-8-15-14(17)11(3)18-13-10(2)6-5-7-12(13)9-16/h5-7,11,16H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyMXPLLMBFFAVVNX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide (PubChem CID 112612370) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
PubChem CID112612370
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cccc1CO
InChIInChI=1S/C14H21NO3/c1-4-8-15-14(17)11(3)18-13-10(2)6-5-7-12(13)9-16/h5-7,11,16H,4,8-9H2,1-3H3,(H,15,17)
InChIKeyMXPLLMBFFAVVNX-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide (CID 112612370) is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(C)cccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide?
The InChIKey is MXPLLMBFFAVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-8-15-14(17)11(3)18-13-10(2)6-5-7-12(13)9-16/h5-7,11,16H,4,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide?
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide is sourced from PubChem (CID 112612370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).