N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

C18H23N3O2 — CID 121064337

IUPACN-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cnc(CC)cc2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-3-5-6-14-7-9-16(10-8-14)20-17(22)12-21-13-19-15(4-2)11-18(21)23/h7-11,13H,3-6,12H2,1-2H3,(H,20,22)
InChIKeyZDYBZBVSKQADAM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.79
Rot. Bonds7

About N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide

N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064337) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064337
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cnc(CC)cc2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-3-5-6-14-7-9-16(10-8-14)20-17(22)12-21-13-19-15(4-2)11-18(21)23/h7-11,13H,3-6,12H2,1-2H3,(H,20,22)
InChIKeyZDYBZBVSKQADAM-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 121063521
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-[4-(2-acetamidoethoxy)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064479
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 121063585
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 121064318
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121064432
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide (CID 121064337) is N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is CCCCc1ccc(NC(=O)Cn2cnc(CC)cc2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZDYBZBVSKQADAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-5-6-14-7-9-16(10-8-14)20-17(22)12-21-13-19-15(4-2)11-18(21)23/h7-11,13H,3-6,12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide?
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).