N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide

C23H26N4O4 — CID 42500569

IUPACN-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN(C)C)c(OC)c1
InChIInChI=1S/C23H26N4O4/c1-27(2)14-17-12-16(23-24-10-5-11-25-23)6-9-20(17)31-15-22(28)26-19-8-7-18(29-3)13-21(19)30-4/h5-13H,14-15H2,1-4H3,(H,26,28)
InChIKeyWTWVZOAESHXVGT-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.24
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide

N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide (PubChem CID 42500569) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
PubChem CID42500569
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN(C)C)c(OC)c1
InChIInChI=1S/C23H26N4O4/c1-27(2)14-17-12-16(23-24-10-5-11-25-23)6-9-20(17)31-15-22(28)26-19-8-7-18(29-3)13-21(19)30-4/h5-13H,14-15H2,1-4H3,(H,26,28)
InChIKeyWTWVZOAESHXVGT-UHFFFAOYSA-N
XLogP3.24
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397323
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2500974
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275265
N-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 3376668
2-[2-[(dimethylamino)methyl]-4-phenylphenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42481778
N-(2,4-dimethoxyphenyl)-2-(1H-indol-4-yloxy)acetamide
CID 29148471
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide (CID 42500569) is N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The InChIKey is WTWVZOAESHXVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-27(2)14-17-12-16(23-24-10-5-11-25-23)6-9-20(17)31-15-22(28)26-19-8-7-18(29-3)13-21(19)30-4/h5-13H,14-15H2,1-4H3,(H,26,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide has a molecular weight of 422.49 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-[(dimethylamino)methyl]-4-pyrimidin-2-ylphenoxy]acetamide is sourced from PubChem (CID 42500569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).