N-(2,6-dioxohexan-3-yl)propanamide

C9H15NO3 — CID 177190618

IUPACN-(2,6-dioxohexan-3-yl)propanamide
SMILESCCC(=O)NC(CCC=O)C(C)=O
InChIInChI=1S/C9H15NO3/c1-3-9(13)10-8(7(2)12)5-4-6-11/h6,8H,3-5H2,1-2H3,(H,10,13)
InChIKeyOJYOUHLCDLTJJT-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.45
Rot. Bonds6

About N-(2,6-dioxohexan-3-yl)propanamide

N-(2,6-dioxohexan-3-yl)propanamide (PubChem CID 177190618) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(2,6-dioxohexan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dioxohexan-3-yl)propanamide
PubChem CID177190618
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(2,6-dioxohexan-3-yl)propanamide
SMILESCCC(=O)NC(CCC=O)C(C)=O
InChIInChI=1S/C9H15NO3/c1-3-9(13)10-8(7(2)12)5-4-6-11/h6,8H,3-5H2,1-2H3,(H,10,13)
InChIKeyOJYOUHLCDLTJJT-UHFFFAOYSA-N
XLogP0.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-5-oxohexanal
CID 155034018
N-[(3S)-1,4-dioxopentan-3-yl]propanamide
CID 155017240
N-(2,6-dioxohexan-3-yl)-6-(sulfanylamino)hexanamide
CID 166964447
N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
CID 91096311
N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide
CID 166903543
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
(2S)-2-acetamido-5-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 134482695
N-[(3S)-2-(dimethylamino)-6-oxohex-1-en-3-yl]acetamide
CID 167167888
(2S)-2-(3-carboxylatopropanoylamino)-5-oxopentanoate
CID 25244043
N,2-dimethyl-5-oxopentanamide
CID 20693317
(2R)-2-[[(E)-3-ethylhept-4-enoyl]amino]-5-oxopentanoic acid
CID 173343908

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxohexan-3-yl)propanamide?
The IUPAC name of N-(2,6-dioxohexan-3-yl)propanamide (CID 177190618) is N-(2,6-dioxohexan-3-yl)propanamide.
What is the SMILES notation for N-(2,6-dioxohexan-3-yl)propanamide?
The canonical SMILES for N-(2,6-dioxohexan-3-yl)propanamide is CCC(=O)NC(CCC=O)C(C)=O.
What is the InChIKey of N-(2,6-dioxohexan-3-yl)propanamide?
The InChIKey is OJYOUHLCDLTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-9(13)10-8(7(2)12)5-4-6-11/h6,8H,3-5H2,1-2H3,(H,10,13).
What are the key properties of N-(2,6-dioxohexan-3-yl)propanamide?
N-(2,6-dioxohexan-3-yl)propanamide has a molecular weight of 185.22 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxohexan-3-yl)propanamide is sourced from PubChem (CID 177190618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).