2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide

C18H21NO2 — CID 38294910

IUPAC2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO2/c1-13-6-4-9-16(10-13)11-19-17(20)12-21-18-14(2)7-5-8-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyPAQYXIYQVJTTPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide

2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 38294910) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID38294910
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO2/c1-13-6-4-9-16(10-13)11-19-17(20)12-21-18-14(2)7-5-8-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyPAQYXIYQVJTTPE-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992172
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55710063
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 111439460

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide (CID 38294910) is 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)COc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is PAQYXIYQVJTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-6-4-9-16(10-13)11-19-17(20)12-21-18-14(2)7-5-8-15(18)3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 38294910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).