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

C18H20N4O3 — CID 47017790

IUPAC2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N(C)C(C)c2ccccc2)c1=O
InChIInChI=1S/C18H20N4O3/c1-4-21-11-15(10-19)17(24)22(18(21)25)12-16(23)20(3)13(2)14-8-6-5-7-9-14/h5-9,11,13H,4,12H2,1-3H3
InChIKeyJJPBUROQUOAIQJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.12
Rot. Bonds5

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

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 47017790) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID47017790
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)N(C)C(C)c2ccccc2)c1=O
InChIInChI=1S/C18H20N4O3/c1-4-21-11-15(10-19)17(24)22(18(21)25)12-16(23)20(3)13(2)14-8-6-5-7-9-14/h5-9,11,13H,4,12H2,1-3H3
InChIKeyJJPBUROQUOAIQJ-UHFFFAOYSA-N
XLogP1.12
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
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-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide (CID 47017790) is 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)N(C)C(C)c2ccccc2)c1=O.
What is the InChIKey of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is JJPBUROQUOAIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-21-11-15(10-19)17(24)22(18(21)25)12-16(23)20(3)13(2)14-8-6-5-7-9-14/h5-9,11,13H,4,12H2,1-3H3.
What are the key properties of 2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide?
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 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-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 47017790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).