2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide

C11H17N3O4 — CID 113264415

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-8(4-6-15)12-10(17)7-14-5-3-9(16)13-11(14)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,12,17)(H,13,16,18)
InChIKeyNRZZXYMMHUMRAE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.19
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 113264415) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID113264415
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-8(4-6-15)12-10(17)7-14-5-3-9(16)13-11(14)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,12,17)(H,13,16,18)
InChIKeyNRZZXYMMHUMRAE-UHFFFAOYSA-N
XLogP-1.19
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799452
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 31353018
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33356226
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 52511313
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide (CID 113264415) is 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is NRZZXYMMHUMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-8(4-6-15)12-10(17)7-14-5-3-9(16)13-11(14)18/h3,5,8,15H,2,4,6-7H2,1H3,(H,12,17)(H,13,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 113264415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).