2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C17H19NO4 — CID 45371710

IUPAC2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CO)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H19NO4/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-13(10-19)4-3-5-15(17)21-2/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyBURQCGSAYOSQTR-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.51
Rot. Bonds6

About 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 45371710) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID45371710
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(CO)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H19NO4/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-13(10-19)4-3-5-15(17)21-2/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyBURQCGSAYOSQTR-UHFFFAOYSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-chloro-4-[[3-methoxy-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539102
2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 3460351
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 21375434
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
CID 115956208
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
2-(2,6-dimethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7612589
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
2-(2-methoxyphenoxy)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 45371710) is 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1cccc(CO)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is BURQCGSAYOSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-6-8-14(9-7-12)18-16(20)11-22-17-13(10-19)4-3-5-15(17)21-2/h3-9,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 45371710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).