N-(4-hydroxybutyl)-4-oxopentanamide

C9H17NO3 — CID 58331315

IUPACN-(4-hydroxybutyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCCO
InChIInChI=1S/C9H17NO3/c1-8(12)4-5-9(13)10-6-2-3-7-11/h11H,2-7H2,1H3,(H,10,13)
InChIKeyNZBMUQLURXHZPC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.24
Rot. Bonds7

About N-(4-hydroxybutyl)-4-oxopentanamide

N-(4-hydroxybutyl)-4-oxopentanamide (PubChem CID 58331315) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-oxopentanamide
PubChem CID58331315
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(4-hydroxybutyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCCO
InChIInChI=1S/C9H17NO3/c1-8(12)4-5-9(13)10-6-2-3-7-11/h11H,2-7H2,1H3,(H,10,13)
InChIKeyNZBMUQLURXHZPC-UHFFFAOYSA-N
XLogP0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
6-hydroxy-N-tetradecylhexanamide
CID 20542961
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
3-hydroxy-N-pentylpropanamide
CID 94252202
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-oxopentanamide?
The IUPAC name of N-(4-hydroxybutyl)-4-oxopentanamide (CID 58331315) is N-(4-hydroxybutyl)-4-oxopentanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-oxopentanamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-oxopentanamide is CC(=O)CCC(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-4-oxopentanamide?
The InChIKey is NZBMUQLURXHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(12)4-5-9(13)10-6-2-3-7-11/h11H,2-7H2,1H3,(H,10,13).
What are the key properties of N-(4-hydroxybutyl)-4-oxopentanamide?
N-(4-hydroxybutyl)-4-oxopentanamide has a molecular weight of 187.24 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-oxopentanamide is sourced from PubChem (CID 58331315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).