2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

C14H21N3O3 — CID 32918035

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-10-3-5-11(6-4-10)16(2)13(19)9-17-8-7-12(18)15-14(17)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18,20)
InChIKeyUKKMIIDKLOMFME-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.57
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 32918035) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID32918035
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-10-3-5-11(6-4-10)16(2)13(19)9-17-8-7-12(18)15-14(17)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18,20)
InChIKeyUKKMIIDKLOMFME-UHFFFAOYSA-N
XLogP0.57
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 32918035) is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UKKMIIDKLOMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-3-5-11(6-4-10)16(2)13(19)9-17-8-7-12(18)15-14(17)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18,20).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 32918035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).