4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

C16H27N3O3 — CID 57385500

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H27N3O3/c1-15(2,3)11-16(4,5)18-13(21)7-6-9-19-10-8-12(20)17-14(19)22/h8,10H,6-7,9,11H2,1-5H3,(H,18,21)(H,17,20,22)
InChIKeyGANUBURLFOCNRN-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.65
Rot. Bonds6

About 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide

4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 57385500) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID57385500
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H27N3O3/c1-15(2,3)11-16(4,5)18-13(21)7-6-9-19-10-8-12(20)17-14(19)22/h8,10H,6-7,9,11H2,1-5H3,(H,18,21)(H,17,20,22)
InChIKeyGANUBURLFOCNRN-UHFFFAOYSA-N
XLogP1.65
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 57385500) is 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)(C)CC(C)(C)NC(=O)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is GANUBURLFOCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2,3)11-16(4,5)18-13(21)7-6-9-19-10-8-12(20)17-14(19)22/h8,10H,6-7,9,11H2,1-5H3,(H,18,21)(H,17,20,22).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 309.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 57385500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).