2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide

C13H21N3O3 — CID 24659167

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)4-5-10(3)14-12(18)8-16-7-6-11(17)15-13(16)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,18)(H,15,17,19)
InChIKeyFXBBNLQYJRAOOL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.48
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 24659167) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID24659167
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)4-5-10(3)14-12(18)8-16-7-6-11(17)15-13(16)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,18)(H,15,17,19)
InChIKeyFXBBNLQYJRAOOL-UHFFFAOYSA-N
XLogP0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide (CID 24659167) is 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is FXBBNLQYJRAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)4-5-10(3)14-12(18)8-16-7-6-11(17)15-13(16)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,18)(H,15,17,19).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.48, 6 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-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 24659167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).