N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

C18H21NO3 — CID 110884621

IUPACN-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2cccc(C(C)O)c2)c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-13(2)17(9-12)19-18(21)11-22-16-6-4-5-15(10-16)14(3)20/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeyBTTSGOKZIDPELM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.37
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (PubChem CID 110884621) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
PubChem CID110884621
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2cccc(C(C)O)c2)c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-13(2)17(9-12)19-18(21)11-22-16-6-4-5-15(10-16)14(3)20/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeyBTTSGOKZIDPELM-UHFFFAOYSA-N
XLogP3.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884614
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
N-[2-(1-hydroxyethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 60728516
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (CID 110884621) is N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is Cc1ccc(C)c(NC(=O)COc2cccc(C(C)O)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The InChIKey is BTTSGOKZIDPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-8-13(2)17(9-12)19-18(21)11-22-16-6-4-5-15(10-16)14(3)20/h4-10,14,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is sourced from PubChem (CID 110884621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).