N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide

C19H24N4O4 — CID 135475766

IUPACN-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-4-6-11-15(24)22-21-13(5-2)16-17(25)20-19(27)23(18(16)26)14-10-8-7-9-12(14)3/h7-10,26H,4-6,11H2,1-3H3,(H,22,24)(H,20,25,27)/b21-13+
InChIKeyHNQMKGFEAVRVJV-FYJGNVAPSA-N
MW372.43 g/mol
LogP1.96
Rot. Bonds7

About N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide

N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide (PubChem CID 135475766) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
PubChem CID135475766
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-4-6-11-15(24)22-21-13(5-2)16-17(25)20-19(27)23(18(16)26)14-10-8-7-9-12(14)3/h7-10,26H,4-6,11H2,1-3H3,(H,22,24)(H,20,25,27)/b21-13+
InChIKeyHNQMKGFEAVRVJV-FYJGNVAPSA-N
XLogP1.96
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.96
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-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]heptanamide
CID 3723455
N-[(Z)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 137230095
1-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]-3-phenylthiourea
CID 135606334
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 135450512
N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
CID 3760321
5-[N-(2-aminocyclohexyl)-C-ethylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3821585
5-[C-ethyl-N-(2-methylanilino)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3839935
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
5-(N-anilino-C-methylcarbonimidoyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 3722604
5-[(E)-N-[2-(diethylamino)ethylamino]-C-methylcarbonimidoyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135842130
1-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 5141976

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide?
The IUPAC name of N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide (CID 135475766) is N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide?
The canonical SMILES for N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide is CCCCC(=O)N/N=C(\CC)c1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide?
The InChIKey is HNQMKGFEAVRVJV-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-6-11-15(24)22-21-13(5-2)16-17(25)20-19(27)23(18(16)26)14-10-8-7-9-12(14)3/h7-10,26H,4-6,11H2,1-3H3,(H,22,24)(H,20,25,27)/b21-13+.
What are the key properties of N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide?
N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide has a molecular weight of 372.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide is sourced from PubChem (CID 135475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).