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

C17H21N3O3 — CID 121121023

IUPAC2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-23-15-6-4-14(5-7-15)10-16(21)19-8-9-20-12-18-11-13(2)17(20)22/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,21)
InChIKeyLDUASMLBGJPMTI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.31
Rot. Bonds7

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

2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121023) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121023
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-23-15-6-4-14(5-7-15)10-16(21)19-8-9-20-12-18-11-13(2)17(20)22/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,21)
InChIKeyLDUASMLBGJPMTI-UHFFFAOYSA-N
XLogP1.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121100
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058886
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-methoxyphenyl)acetamide
CID 121120627
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121023) is 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NCCn2cncc(C)c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is LDUASMLBGJPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-15-6-4-14(5-7-15)10-16(21)19-8-9-20-12-18-11-13(2)17(20)22/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).