N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide

C18H20N4O4 — CID 3741233

IUPACN-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(CC)=N/c2ccccc2NC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N4O4/c1-4-10-22-17(25)15(16(24)21-18(22)26)12(5-2)20-14-9-7-6-8-13(14)19-11(3)23/h4,6-9,25H,1,5,10H2,2-3H3,(H,19,23)(H,21,24,26)/b20-12+
InChIKeyPUHZITHJTCOHEC-UDWIEESQSA-N
MW356.38 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide

N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide (PubChem CID 3741233) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide
PubChem CID3741233
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(CC)=N/c2ccccc2NC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N4O4/c1-4-10-22-17(25)15(16(24)21-18(22)26)12(5-2)20-14-9-7-6-8-13(14)19-11(3)23/h4,6-9,25H,1,5,10H2,2-3H3,(H,19,23)(H,21,24,26)/b20-12+
InChIKeyPUHZITHJTCOHEC-UDWIEESQSA-N
XLogP1.92
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The IUPAC name of N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide (CID 3741233) is N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The canonical SMILES for N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide is C=CCn1c(O)c(/C(CC)=N/c2ccccc2NC(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide?
The InChIKey is PUHZITHJTCOHEC-UDWIEESQSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-10-22-17(25)15(16(24)21-18(22)26)12(5-2)20-14-9-7-6-8-13(14)19-11(3)23/h4,6-9,25H,1,5,10H2,2-3H3,(H,19,23)(H,21,24,26)/b20-12+.
What are the key properties of N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide?
N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]phenyl]acetamide is sourced from PubChem (CID 3741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).