N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C18H21N3O4 — CID 138013633

IUPACN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCc1cc(=O)[nH]c(NC(=O)COc2ccc(CCC(C)=O)cc2)n1
InChIInChI=1S/C18H21N3O4/c1-3-14-10-16(23)20-18(19-14)21-17(24)11-25-15-8-6-13(7-9-15)5-4-12(2)22/h6-10H,3-5,11H2,1-2H3,(H2,19,20,21,23,24)
InChIKeyFZRILLVUXZTPDK-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.87
Rot. Bonds8

About N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 138013633) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID138013633
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCc1cc(=O)[nH]c(NC(=O)COc2ccc(CCC(C)=O)cc2)n1
InChIInChI=1S/C18H21N3O4/c1-3-14-10-16(23)20-18(19-14)21-17(24)11-25-15-8-6-13(7-9-15)5-4-12(2)22/h6-10H,3-5,11H2,1-2H3,(H2,19,20,21,23,24)
InChIKeyFZRILLVUXZTPDK-UHFFFAOYSA-N
XLogP1.87
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
CID 135483277
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136604928
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 136604932
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 138013633) is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CCc1cc(=O)[nH]c(NC(=O)COc2ccc(CCC(C)=O)cc2)n1.
What is the InChIKey of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is FZRILLVUXZTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-14-10-16(23)20-18(19-14)21-17(24)11-25-15-8-6-13(7-9-15)5-4-12(2)22/h6-10H,3-5,11H2,1-2H3,(H2,19,20,21,23,24).
What are the key properties of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 138013633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).