N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide

C19H23NO2 — CID 112977936

IUPACN-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-10-11-15(2)19(16(14)3)22-13-18(21)20(4)12-17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3
InChIKeyIQQDTMZOZJODLX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.65
Rot. Bonds5

About N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide

N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 112977936) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID112977936
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO2/c1-14-10-11-15(2)19(16(14)3)22-13-18(21)20(4)12-17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3
InChIKeyIQQDTMZOZJODLX-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 46992231
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
CID 19202013
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
(E)-4-(2,3,6-trimethylphenoxy)but-2-enoic acid
CID 62342893
1-benzyl-1-propan-2-yl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974315
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide (CID 112977936) is N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is IQQDTMZOZJODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-10-11-15(2)19(16(14)3)22-13-18(21)20(4)12-17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide?
N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 112977936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).