N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide

C14H15N3O4 — CID 607301

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide
SMILESCn1c(NC(=O)COc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyGLHWWLVAROPZMA-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.10
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide (PubChem CID 607301) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide
PubChem CID607301
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide
SMILESCn1c(NC(=O)COc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyGLHWWLVAROPZMA-UHFFFAOYSA-N
XLogP0.10
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide (CID 607301) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide is Cn1c(NC(=O)COc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide?
The InChIKey is GLHWWLVAROPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-11(8-13(19)17(2)14(16)20)15-12(18)9-21-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,18).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide has a molecular weight of 289.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 607301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).