2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide

C18H22ClN3O3 — CID 122355884

IUPAC2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
SMILESCCOc1nc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C18H22ClN3O3/c1-6-24-17-20-11(2)15(12(3)21-17)22-16(23)18(4,5)25-14-9-7-13(19)8-10-14/h7-10H,6H2,1-5H3,(H,22,23)
InChIKeyFUFDBHRCQVNTFM-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide (PubChem CID 122355884) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
PubChem CID122355884
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
SMILESCCOc1nc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C18H22ClN3O3/c1-6-24-17-20-11(2)15(12(3)21-17)22-16(23)18(4,5)25-14-9-7-13(19)8-10-14/h7-10H,6H2,1-5H3,(H,22,23)
InChIKeyFUFDBHRCQVNTFM-UHFFFAOYSA-N
XLogP3.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide 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-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
CID 122356780
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 800401
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680834
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide (CID 122355884) is 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide is CCOc1nc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is FUFDBHRCQVNTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-6-24-17-20-11(2)15(12(3)21-17)22-16(23)18(4,5)25-14-9-7-13(19)8-10-14/h7-10H,6H2,1-5H3,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 363.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 122355884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).