N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide

C18H23N3O3 — CID 121120629

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-4-24-16-7-5-15(6-8-16)11-17(22)19-9-10-21-12-20-14(3)13(2)18(21)23/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)
InChIKeyCPSDZDRTICWDGT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 121120629) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID121120629
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-4-24-16-7-5-15(6-8-16)11-17(22)19-9-10-21-12-20-14(3)13(2)18(21)23/h5-8,12H,4,9-11H2,1-3H3,(H,19,22)
InChIKeyCPSDZDRTICWDGT-UHFFFAOYSA-N
XLogP1.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 121120751
2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058886
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121100
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-nitrophenyl)acetamide
CID 121106637
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide (CID 121120629) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is CPSDZDRTICWDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-24-16-7-5-15(6-8-16)11-17(22)19-9-10-21-12-20-14(3)13(2)18(21)23/h5-8,12H,4,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 121120629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).