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

C14H21N3O3 — CID 2148467

IUPAC2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)CC2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H21N3O3/c1-16-11(9-13(19)17(2)14(16)20)15-12(18)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyGESGFEUFFPHPMT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.99
Rot. Bonds3

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

2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (PubChem CID 2148467) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
PubChem CID2148467
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)CC2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H21N3O3/c1-16-11(9-13(19)17(2)14(16)20)15-12(18)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,18)
InChIKeyGESGFEUFFPHPMT-UHFFFAOYSA-N
XLogP0.99
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CID 2148467) is 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is Cn1c(NC(=O)CC2CCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The InChIKey is GESGFEUFFPHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-11(9-13(19)17(2)14(16)20)15-12(18)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 2148467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).