3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

C22H22N4O4 — CID 166327278

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(OCC(=O)N(C)C)c3)ncn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-18-6-4-5-16(11-18)22(28)25-20-12-19(23-14-24-20)15-7-9-17(29-3)10-8-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28)
InChIKeyUKRUAKJMAMWRSB-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.87
Rot. Bonds7

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (PubChem CID 166327278) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
PubChem CID166327278
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(OCC(=O)N(C)C)c3)ncn2)cc1
InChIInChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-18-6-4-5-16(11-18)22(28)25-20-12-19(23-14-24-20)15-7-9-17(29-3)10-8-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28)
InChIKeyUKRUAKJMAMWRSB-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

2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327287
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 86866211
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (CID 166327278) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3cccc(OCC(=O)N(C)C)c3)ncn2)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The InChIKey is UKRUAKJMAMWRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-26(2)21(27)13-30-18-6-4-5-16(11-18)22(28)25-20-12-19(23-14-24-20)15-7-9-17(29-3)10-8-15/h4-12,14H,13H2,1-3H3,(H,23,24,25,28).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
3-[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 3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 166327278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).