3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide

C15H25N3O3 — CID 57385248

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-14(2,3)10-15(4,5)17-12(20)7-9-18-8-6-11(19)16-13(18)21/h6,8H,7,9-10H2,1-5H3,(H,17,20)(H,16,19,21)
InChIKeyJSARTXVDMARNTL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.26
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 57385248) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID57385248
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H25N3O3/c1-14(2,3)10-15(4,5)17-12(20)7-9-18-8-6-11(19)16-13(18)21/h6,8H,7,9-10H2,1-5H3,(H,17,20)(H,16,19,21)
InChIKeyJSARTXVDMARNTL-UHFFFAOYSA-N
XLogP1.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 57385248) is 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is JSARTXVDMARNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)10-15(4,5)17-12(20)7-9-18-8-6-11(19)16-13(18)21/h6,8H,7,9-10H2,1-5H3,(H,17,20)(H,16,19,21).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 57385248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).