N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide

C13H19N3O3 — CID 4798579

IUPACN-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O3/c17-11-7-8-16(13(19)15-11)9-12(18)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,18)(H,15,17,19)
InChIKeyYOFXUJVMMBNZEU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.38
Rot. Bonds3

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

N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 4798579) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID4798579
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O3/c17-11-7-8-16(13(19)15-11)9-12(18)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,18)(H,15,17,19)
InChIKeyYOFXUJVMMBNZEU-UHFFFAOYSA-N
XLogP0.38
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 4798579) is N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is YOFXUJVMMBNZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-7-8-16(13(19)15-11)9-12(18)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,18)(H,15,17,19).
What are the key properties of N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 4798579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).