2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C17H21N3O4 — CID 121121100

IUPAC2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-3-23-14-4-6-15(7-5-14)24-11-16(21)19-8-9-20-12-18-10-13(2)17(20)22/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeyBXMQIQBMSDCXRY-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.15
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121100) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121100
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(OCC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-3-23-14-4-6-15(7-5-14)24-11-16(21)19-8-9-20-12-18-10-13(2)17(20)22/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeyBXMQIQBMSDCXRY-UHFFFAOYSA-N
XLogP1.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121097
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 121120751
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 121121293
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121100) is 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCOc1ccc(OCC(=O)NCCn2cncc(C)c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is BXMQIQBMSDCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-23-14-4-6-15(7-5-14)24-11-16(21)19-8-9-20-12-18-10-13(2)17(20)22/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).