3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

C22H22N4O4 — CID 48667487

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C22H22N4O4/c1-15-12-18(30-22-23-10-5-11-24-22)8-9-19(15)25-21(28)16-6-4-7-17(13-16)29-14-20(27)26(2)3/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyDGMCJTCDDNVCHH-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.30
Rot. Bonds7

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 48667487) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID48667487
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C22H22N4O4/c1-15-12-18(30-22-23-10-5-11-24-22)8-9-19(15)25-21(28)16-6-4-7-17(13-16)29-14-20(27)26(2)3/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyDGMCJTCDDNVCHH-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (CID 48667487) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(OCC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is DGMCJTCDDNVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-12-18(30-22-23-10-5-11-24-22)8-9-19(15)25-21(28)16-6-4-7-17(13-16)29-14-20(27)26(2)3/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 406.44 g/mol, XLogP of 3.30, 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-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 48667487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).