2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide

C22H23N3O3 — CID 108767054

IUPAC2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
SMILESCc1cc(C)nc(Oc2cccc(NC(=O)COc3ccc(C)c(C)c3)c2)n1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-19(10-15(14)2)27-13-21(26)25-18-6-5-7-20(12-18)28-22-23-16(3)11-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,26)
InChIKeyPFBDKDUNYWIIDY-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.52
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide (PubChem CID 108767054) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
PubChem CID108767054
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
SMILESCc1cc(C)nc(Oc2cccc(NC(=O)COc3ccc(C)c(C)c3)c2)n1
InChIInChI=1S/C22H23N3O3/c1-14-8-9-19(10-15(14)2)27-13-21(26)25-18-6-5-7-20(12-18)28-22-23-16(3)11-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,26)
InChIKeyPFBDKDUNYWIIDY-UHFFFAOYSA-N
XLogP4.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
CID 17342012
2-(2,3-dimethylphenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108764985
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
2-(3,4-dimethylphenoxy)-N-pyridin-1-ium-3-ylacetamide
CID 3658963
3-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417235
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide (CID 108767054) is 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide is Cc1cc(C)nc(Oc2cccc(NC(=O)COc3ccc(C)c(C)c3)c2)n1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide?
The InChIKey is PFBDKDUNYWIIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-8-9-19(10-15(14)2)27-13-21(26)25-18-6-5-7-20(12-18)28-22-23-16(3)11-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide is sourced from PubChem (CID 108767054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).