N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide

C17H20N4O4 — CID 1399913

IUPACN-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide
SMILESCC/C(=N\c1ccc(NC(C)=O)cc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O4/c1-5-13(14-15(23)20(3)17(25)21(4)16(14)24)19-12-8-6-11(7-9-12)18-10(2)22/h6-9,23H,5H2,1-4H3,(H,18,22)/b19-13+
InChIKeyWEJBNBRRSVDJPH-CPNJWEJPSA-N
MW344.37 g/mol
LogP1.28
Rot. Bonds4

About N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide

N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide (PubChem CID 1399913) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide
PubChem CID1399913
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide
SMILESCC/C(=N\c1ccc(NC(C)=O)cc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O4/c1-5-13(14-15(23)20(3)17(25)21(4)16(14)24)19-12-8-6-11(7-9-12)18-10(2)22/h6-9,23H,5H2,1-4H3,(H,18,22)/b19-13+
InChIKeyWEJBNBRRSVDJPH-CPNJWEJPSA-N
XLogP1.28
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]anilino]-4-oxobutanoic acid
CID 3841137
5-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 1402593
(2-anilino-2-oxoethyl) 4-hydroxy-1,3-dimethyl-N-(4-methylphenyl)-2,6-dioxopyrimidine-5-carboximidothioate
CID 137094231
[2-(4-ethoxyanilino)-2-oxoethyl] N-(4-fluorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 137094028
[2-(4-methylanilino)-2-oxoethyl] 4-hydroxy-N-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 137168142
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-hydroxy-1,3-dimethyl-N-(4-methylphenyl)-2,6-dioxopyrimidine-5-carboximidothioate
CID 137168176
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate
CID 3926746
ethyl N-(4-fluorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 3899014
[2-(3,4-dimethylanilino)-2-oxoethyl] N-(3,4-dimethylphenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 3958147
[2-oxo-2-(propylamino)ethyl] 4-hydroxy-1,3-dimethyl-N-(4-methylphenyl)-2,6-dioxopyrimidine-5-carboximidothioate
CID 3922664
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-hydroxy-1,3-dimethyl-N-(4-methylphenyl)-2,6-dioxopyrimidine-5-carboximidothioate
CID 137168226

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide (CID 1399913) is N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide is CC/C(=N\c1ccc(NC(C)=O)cc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The InChIKey is WEJBNBRRSVDJPH-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-5-13(14-15(23)20(3)17(25)21(4)16(14)24)19-12-8-6-11(7-9-12)18-10(2)22/h6-9,23H,5H2,1-4H3,(H,18,22)/b19-13+.
What are the key properties of N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide?
N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide is sourced from PubChem (CID 1399913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).