2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

C22H22N4O4 — CID 166327287

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ncn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-19-7-5-4-6-17(19)22(28)25-20-12-18(23-14-24-20)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28)
InChIKeyABPXNKKQGXUWCS-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (PubChem CID 166327287) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
PubChem CID166327287
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ncn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-19-7-5-4-6-17(19)22(28)25-20-12-18(23-14-24-20)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28)
InChIKeyABPXNKKQGXUWCS-UHFFFAOYSA-N
XLogP2.87
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 30257849
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327245
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 51073257
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
2-[2-(dimethylamino)-2-oxoethoxy]-N-pentylbenzamide
CID 32976806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (CID 166327287) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccccc3OCC(=O)N(C)C)ncn2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The InChIKey is ABPXNKKQGXUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-19-7-5-4-6-17(19)22(28)25-20-12-18(23-14-24-20)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 166327287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).