3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide

C13H13N3O4 — CID 108788631

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H13N3O4/c17-10-3-1-9(2-4-10)14-11(18)5-7-16-8-6-12(19)15-13(16)20/h1-4,6,8,17H,5,7H2,(H,14,18)(H,15,19,20)
InChIKeyMKECOVAVTQFUGL-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.27
Rot. Bonds4

About 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide (PubChem CID 108788631) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
PubChem CID108788631
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H13N3O4/c17-10-3-1-9(2-4-10)14-11(18)5-7-16-8-6-12(19)15-13(16)20/h1-4,6,8,17H,5,7H2,(H,14,18)(H,15,19,20)
InChIKeyMKECOVAVTQFUGL-UHFFFAOYSA-N
XLogP0.27
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 108801580
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 108788723
2-(diethylamino)ethyl 4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788712
N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
CID 108788763
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
methyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 108801562
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788701

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide (CID 108788631) is 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide is O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide?
The InChIKey is MKECOVAVTQFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-10-3-1-9(2-4-10)14-11(18)5-7-16-8-6-12(19)15-13(16)20/h1-4,6,8,17H,5,7H2,(H,14,18)(H,15,19,20).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide has a molecular weight of 275.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 108788631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).