2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide

C17H19NO3 — CID 115956208

IUPAC2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(C)cccc2CO)c1
InChIInChI=1S/C17H19NO3/c1-12-5-3-8-15(9-12)18-16(20)11-21-17-13(2)6-4-7-14(17)10-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeySRMVVHMMDUVBTD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 115956208) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID115956208
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(C)cccc2CO)c1
InChIInChI=1S/C17H19NO3/c1-12-5-3-8-15(9-12)18-16(20)11-21-17-13(2)6-4-7-14(17)10-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeySRMVVHMMDUVBTD-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 45371710
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide (CID 115956208) is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(C)cccc2CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is SRMVVHMMDUVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-3-8-15(9-12)18-16(20)11-21-17-13(2)6-4-7-14(17)10-19/h3-9,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide?
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 115956208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).