2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide

C13H19NO3 — CID 43391085

IUPAC2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(C)O)c1
InChIInChI=1S/C13H19NO3/c1-9-4-10(2)6-12(5-9)17-8-13(16)14-7-11(3)15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyJPFYWLBUEHOQTA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide

2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide (PubChem CID 43391085) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
PubChem CID43391085
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(C)O)c1
InChIInChI=1S/C13H19NO3/c1-9-4-10(2)6-12(5-9)17-8-13(16)14-7-11(3)15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyJPFYWLBUEHOQTA-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238738
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 83030457

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide (CID 43391085) is 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide is Cc1cc(C)cc(OCC(=O)NCC(C)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide?
The InChIKey is JPFYWLBUEHOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-10(2)6-12(5-9)17-8-13(16)14-7-11(3)15/h4-6,11,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 43391085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).