2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

C18H21NO3 — CID 110884628

IUPAC2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cccc(C(C)O)c2)cc1
InChIInChI=1S/C18H21NO3/c1-13-6-8-15(9-7-13)11-19-18(21)12-22-17-5-3-4-16(10-17)14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyPSCOEUSLWHAWCH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.74
Rot. Bonds6

About 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 110884628) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID110884628
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cccc(C(C)O)c2)cc1
InChIInChI=1S/C18H21NO3/c1-13-6-8-15(9-7-13)11-19-18(21)12-22-17-5-3-4-16(10-17)14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyPSCOEUSLWHAWCH-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 71968834
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55693906

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 110884628) is 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2cccc(C(C)O)c2)cc1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PSCOEUSLWHAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-8-15(9-7-13)11-19-18(21)12-22-17-5-3-4-16(10-17)14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110884628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).