N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide

C22H23N3O2 — CID 53136811

IUPACN-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCCc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-4-17-6-5-7-19(13-17)24-20(26)14-27-21-12-16(3)23-22(25-21)18-10-8-15(2)9-11-18/h5-13H,4,14H2,1-3H3,(H,24,26)
InChIKeyFQEUMNOOHIVXFQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.34
Rot. Bonds6

About N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide

N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (PubChem CID 53136811) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
PubChem CID53136811
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
SMILESCCc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-4-17-6-5-7-19(13-17)24-20(26)14-27-21-12-16(3)23-22(25-21)18-10-8-15(2)9-11-18/h5-13H,4,14H2,1-3H3,(H,24,26)
InChIKeyFQEUMNOOHIVXFQ-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850
N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136848
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-(3-ethylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770107
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide (CID 53136811) is N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is CCc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
The InChIKey is FQEUMNOOHIVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-17-6-5-7-19(13-17)24-20(26)14-27-21-12-16(3)23-22(25-21)18-10-8-15(2)9-11-18/h5-13H,4,14H2,1-3H3,(H,24,26).
What are the key properties of N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide?
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide has a molecular weight of 361.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 53136811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).