2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

C20H23N3O3 — CID 46322035

IUPAC2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nc(OCC(=O)NCc2ccc(C)cc2)c2c(C)c(C)oc2n1
InChIInChI=1S/C20H23N3O3/c1-5-16-22-19(18-13(3)14(4)26-20(18)23-16)25-11-17(24)21-10-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyBELJCSOXROCMIT-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.41
Rot. Bonds6

About 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46322035) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46322035
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nc(OCC(=O)NCc2ccc(C)cc2)c2c(C)c(C)oc2n1
InChIInChI=1S/C20H23N3O3/c1-5-16-22-19(18-13(3)14(4)26-20(18)23-16)25-11-17(24)21-10-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,24)
InChIKeyBELJCSOXROCMIT-UHFFFAOYSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916
2-[(2-ethyl-9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 95922406
N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 46321883
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46321973
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922354
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
2-[[3-(3,4-dimethylphenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 53108000
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
2-[[3-(3,4-dimethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(4-ethylphenyl)methyl]acetamide
CID 53107983

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (CID 46322035) is 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is CCc1nc(OCC(=O)NCc2ccc(C)cc2)c2c(C)c(C)oc2n1.
What is the InChIKey of 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is BELJCSOXROCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-16-22-19(18-13(3)14(4)26-20(18)23-16)25-11-17(24)21-10-15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,24).
What are the key properties of 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46322035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).