N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide

C18H22N4O4 — CID 135650695

IUPACN-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C\c1c(O)n(-c2ccc(CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N4O4/c1-3-5-6-15(23)21-19-11-14-16(24)20-18(26)22(17(14)25)13-9-7-12(4-2)8-10-13/h7-11,25H,3-6H2,1-2H3,(H,21,23)(H,20,24,26)/b19-11-
InChIKeyPFOHMEAVTKILFY-ODLFYWEKSA-N
MW358.40 g/mol
LogP1.43
Rot. Bonds7

About N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide

N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide (PubChem CID 135650695) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
PubChem CID135650695
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C\c1c(O)n(-c2ccc(CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N4O4/c1-3-5-6-15(23)21-19-11-14-16(24)20-18(26)22(17(14)25)13-9-7-12(4-2)8-10-13/h7-11,25H,3-6H2,1-2H3,(H,21,23)(H,20,24,26)/b19-11-
InChIKeyPFOHMEAVTKILFY-ODLFYWEKSA-N
XLogP1.43
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
CID 135440877
N-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]heptanamide
CID 135481364
N-[(E)-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)methylideneamino]pentanamide
CID 135498901
1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 135469987
N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pentanamide
CID 135427150
N-[(E)-(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135717455
N-[[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]heptanamide
CID 3784557
N-[(E)-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135440854
N-[(E)-(6-hydroxy-1-methyl-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]pentanamide
CID 135440905
N-[(E)-[1-(2-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pentanamide
CID 135493390
N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
CID 3760321
N-[(Z)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 137230095

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide?
The IUPAC name of N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide (CID 135650695) is N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide.
What is the SMILES notation for N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide?
The canonical SMILES for N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide is CCCCC(=O)N/N=C\c1c(O)n(-c2ccc(CC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide?
The InChIKey is PFOHMEAVTKILFY-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-5-6-15(23)21-19-11-14-16(24)20-18(26)22(17(14)25)13-9-7-12(4-2)8-10-13/h7-11,25H,3-6H2,1-2H3,(H,21,23)(H,20,24,26)/b19-11-.
What are the key properties of N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide?
N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide has a molecular weight of 358.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide is sourced from PubChem (CID 135650695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).