N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide

C15H24N3O5P — CID 173363405

IUPACN-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCOP(=O)(C=CCCCn1ccc(NC(C)=O)nc1=O)OCC
InChIInChI=1S/C15H24N3O5P/c1-4-22-24(21,23-5-2)12-8-6-7-10-18-11-9-14(16-13(3)19)17-15(18)20/h8-9,11-12H,4-7,10H2,1-3H3,(H,16,17,19,20)
InChIKeyCBYGSBNEDXQNCO-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.76
Rot. Bonds10

About N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide

N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide (PubChem CID 173363405) has the molecular formula C15H24N3O5P and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide
PubChem CID173363405
Molecular FormulaC15H24N3O5P
Molecular Weight357.35 g/mol
Exact Mass357.15
IUPAC NameN-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide
SMILESCCOP(=O)(C=CCCCn1ccc(NC(C)=O)nc1=O)OCC
InChIInChI=1S/C15H24N3O5P/c1-4-22-24(21,23-5-2)12-8-6-7-10-18-11-9-14(16-13(3)19)17-15(18)20/h8-9,11-12H,4-7,10H2,1-3H3,(H,16,17,19,20)
InChIKeyCBYGSBNEDXQNCO-UHFFFAOYSA-N
XLogP2.76
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide (CID 173363405) is N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide is CCOP(=O)(C=CCCCn1ccc(NC(C)=O)nc1=O)OCC.
What is the InChIKey of N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide?
The InChIKey is CBYGSBNEDXQNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N3O5P/c1-4-22-24(21,23-5-2)12-8-6-7-10-18-11-9-14(16-13(3)19)17-15(18)20/h8-9,11-12H,4-7,10H2,1-3H3,(H,16,17,19,20).
What are the key properties of N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide?
N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 357.35 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-diethoxyphosphorylpent-4-enyl)-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 173363405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).