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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Related Compounds

5-(1-azepanyl)-2,4(1H,3H)-pyrimidinedione
CID 2816266
6-(cycloheptylamino)pyrimidine-2,4(1H,3H)-dione
CID 2196772
N-heptyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655116
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
2,4(1h,3h)-Pyrimidinedione, 5-(cyclohexylamino)-
CID 255373
Azanium 3-cycloheptyl-2,6-dioxopyrimidin-4-olate
CID 24747625
N-Butyl-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-YL)acetamide
CID 30766948
1-(piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
CID 51050696
5-Fluoro-1-[2-(heptan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 55218653
1-[2-(Cycloheptylamino)ethyl]-5-fluoropyrimidine-2,4-dione
CID 63558811
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 17395461

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).