N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H15N3O4 — CID 60562073

IUPACN-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-9-3-4-11(18)10(7-9)15-12(19)8-17-6-5-13(20)16(2)14(17)21/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyOOMSWXXRPTXGPZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.20
Rot. Bonds3

About N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60562073) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60562073
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-9-3-4-11(18)10(7-9)15-12(19)8-17-6-5-13(20)16(2)14(17)21/h3-7,18H,8H2,1-2H3,(H,15,19)
InChIKeyOOMSWXXRPTXGPZ-UHFFFAOYSA-N
XLogP0.20
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 51083821
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 38016174
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
CID 20778624
2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 81368356
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 60562073) is N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1ccc(O)c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is OOMSWXXRPTXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-3-4-11(18)10(7-9)15-12(19)8-17-6-5-13(20)16(2)14(17)21/h3-7,18H,8H2,1-2H3,(H,15,19).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 289.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60562073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).