2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C17H27N3O3 — CID 26952773

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-4-17(2,3)12-5-7-13(8-6-12)18-15(22)11-20-10-9-14(21)19-16(20)23/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeyRPEBKHWJMFQGDD-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 26952773) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID26952773
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-4-17(2,3)12-5-7-13(8-6-12)18-15(22)11-20-10-9-14(21)19-16(20)23/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeyRPEBKHWJMFQGDD-UHFFFAOYSA-N
XLogP1.65
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 3154244
N-(cyclohexylmethyl)-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 36479304
3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione
CID 90968681
5-amino-N-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 117926857
5-amino-N-(4-tert-butylcyclohexyl)-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543317
6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 123748404
5-[(2S)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085047
5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085048
N-(cyclohexylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 16391358
N-[1-(1-adamantyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17449566
2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
CID 24659167
2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 25624598

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 26952773) is 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is RPEBKHWJMFQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-17(2,3)12-5-7-13(8-6-12)18-15(22)11-20-10-9-14(21)19-16(20)23/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,22)(H,19,21,23).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 26952773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).