2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide

C18H21NO3 — CID 101177983

IUPAC2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO3/c1-12-9-13(2)11-14(10-12)22-16-8-6-5-7-15(16)17(21-4)18(20)19-3/h5-11,17H,1-4H3,(H,19,20)
InChIKeyQHHOPNYILNWSDD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide

2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide (PubChem CID 101177983) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
PubChem CID101177983
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO3/c1-12-9-13(2)11-14(10-12)22-16-8-6-5-7-15(16)17(21-4)18(20)19-3/h5-11,17H,1-4H3,(H,19,20)
InChIKeyQHHOPNYILNWSDD-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101178001
2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
CID 174772151
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101177998
3-(2-ethylphenoxy)-5-methylaniline
CID 112648419
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506
[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717416
2-(3-methoxy-5-methylphenoxy)-N-methylaniline
CID 176939009
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide (CID 101177983) is 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide is CNC(=O)C(OC)c1ccccc1Oc1cc(C)cc(C)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide?
The InChIKey is QHHOPNYILNWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-9-13(2)11-14(10-12)22-16-8-6-5-7-15(16)17(21-4)18(20)19-3/h5-11,17H,1-4H3,(H,19,20).
What are the key properties of 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide?
2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 101177983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).