2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide

C14H21NO3 — CID 54957411

IUPAC2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cccc(CO)c1
InChIInChI=1S/C14H21NO3/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyHMVKGBKMSKZWOA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds7

About 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide

2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 54957411) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
PubChem CID54957411
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cccc(CO)c1
InChIInChI=1S/C14H21NO3/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyHMVKGBKMSKZWOA-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[3-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962208
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 66348561
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide (CID 54957411) is 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is HMVKGBKMSKZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.72, 7 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 54957411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).