N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H25N3O2 — CID 135896975

IUPACN-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CCCCCCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-11-14(16(21)18-12(2)17-11)10-15(20)19-13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyMZYLKYYKFCCJGN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.16
Rot. Bonds3

About N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135896975) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135896975
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CCCCCCC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-11-14(16(21)18-12(2)17-11)10-15(20)19-13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyMZYLKYYKFCCJGN-UHFFFAOYSA-N
XLogP2.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135896975) is N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CCCCCCC2)c(=O)[nH]1.
What is the InChIKey of N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is MZYLKYYKFCCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-14(16(21)18-12(2)17-11)10-15(20)19-13-8-6-4-3-5-7-9-13/h13H,3-10H2,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135896975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).