2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide

C16H24N4O3 — CID 18140266

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NC(C)CCC(C)C)c1=O
InChIInChI=1S/C16H24N4O3/c1-5-19-9-13(8-17)15(22)20(16(19)23)10-14(21)18-12(4)7-6-11(2)3/h9,11-12H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyFJZJOTCEZSDJGJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.84
Rot. Bonds7

About 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 18140266) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID18140266
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)NC(C)CCC(C)C)c1=O
InChIInChI=1S/C16H24N4O3/c1-5-19-9-13(8-17)15(22)20(16(19)23)10-14(21)18-12(4)7-6-11(2)3/h9,11-12H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyFJZJOTCEZSDJGJ-UHFFFAOYSA-N
XLogP0.84
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide (CID 18140266) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)NC(C)CCC(C)C)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is FJZJOTCEZSDJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-19-9-13(8-17)15(22)20(16(19)23)10-14(21)18-12(4)7-6-11(2)3/h9,11-12H,5-7,10H2,1-4H3,(H,18,21).
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 18140266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).