2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide

C18H23N3O3 — CID 121063547

IUPAC2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccccc2OCC)cn1
InChIInChI=1S/C18H23N3O3/c1-3-5-8-14-11-18(23)21(13-19-14)12-17(22)20-15-9-6-7-10-16(15)24-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,20,22)
InChIKeyBBHQAJCAJVJSFU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.62
Rot. Bonds8

About 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 121063547) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID121063547
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccccc2OCC)cn1
InChIInChI=1S/C18H23N3O3/c1-3-5-8-14-11-18(23)21(13-19-14)12-17(22)20-15-9-6-7-10-16(15)24-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,20,22)
InChIKeyBBHQAJCAJVJSFU-UHFFFAOYSA-N
XLogP2.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-(1,3-benzothiazol-2-yl)-2-(4-butyl-6-oxopyrimidin-1-yl)acetamide
CID 121063537
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 121063521
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121063835
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-(2-ethoxyphenyl)octanamide
CID 4158866
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide (CID 121063547) is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide is CCCCc1cc(=O)n(CC(=O)Nc2ccccc2OCC)cn1.
What is the InChIKey of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is BBHQAJCAJVJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-5-8-14-11-18(23)21(13-19-14)12-17(22)20-15-9-6-7-10-16(15)24-4-2/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 121063547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).