butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

C14H22N2O5 — CID 11652319

IUPACbutyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N2O5/c1-4-6-7-21-12(17)8-11(20-5-2)16-9-10(3)13(18)15-14(16)19/h9,11H,4-8H2,1-3H3,(H,15,18,19)
InChIKeyUASMWPRSLDDONS-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.11
Rot. Bonds8

About butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 11652319) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namebutyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID11652319
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namebutyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N2O5/c1-4-6-7-21-12(17)8-11(20-5-2)16-9-10(3)13(18)15-14(16)19/h9,11H,4-8H2,1-3H3,(H,15,18,19)
InChIKeyUASMWPRSLDDONS-UHFFFAOYSA-N
XLogP1.11
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (CID 11652319) is butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is CCCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is UASMWPRSLDDONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-4-6-7-21-12(17)8-11(20-5-2)16-9-10(3)13(18)15-14(16)19/h9,11H,4-8H2,1-3H3,(H,15,18,19).
What are the key properties of butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 298.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 11652319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).