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

C19H24N4O4 — CID 3540557

IUPACN-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(CC)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-3-5-11-15(24)22-21-14(4-2)16-17(25)20-19(27)23(18(16)26)12-13-9-7-6-8-10-13/h6-10,26H,3-5,11-12H2,1-2H3,(H,22,24)(H,20,25,27)
InChIKeyDTYPQWPSZZZOBY-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.71
Rot. Bonds8

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

N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide (PubChem CID 3540557) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
PubChem CID3540557
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
SMILESCCCCC(=O)NN=C(CC)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-3-5-11-15(24)22-21-14(4-2)16-17(25)20-19(27)23(18(16)26)12-13-9-7-6-8-10-13/h6-10,26H,3-5,11-12H2,1-2H3,(H,22,24)(H,20,25,27)
InChIKeyDTYPQWPSZZZOBY-UHFFFAOYSA-N
XLogP1.71
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.71
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

1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348
N-[(E)-1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 135475766
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135685287
N-[(Z)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 137230095
N-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]heptanamide
CID 3723455
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 135450512
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
1-benzyl-5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 136916298
1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 747588
N-[1-(2-hydroxyphenyl)propylideneamino]pentanamide
CID 4060923

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The IUPAC name of N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide (CID 3540557) is N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide.
What is the SMILES notation for N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The canonical SMILES for N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide is CCCCC(=O)NN=C(CC)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The InChIKey is DTYPQWPSZZZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-5-11-15(24)22-21-14(4-2)16-17(25)20-19(27)23(18(16)26)12-13-9-7-6-8-10-13/h6-10,26H,3-5,11-12H2,1-2H3,(H,22,24)(H,20,25,27).
What are the key properties of N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide has a molecular weight of 372.43 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide is sourced from PubChem (CID 3540557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).