N-(1-hydroxy-4-oxopentan-2-yl)hexanamide

C11H21NO3 — CID 143028681

IUPACN-(1-hydroxy-4-oxopentan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(CO)CC(C)=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-11(15)12-10(8-13)7-9(2)14/h10,13H,3-8H2,1-2H3,(H,12,15)
InChIKeyNCLFYCUYXWICDB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.02
Rot. Bonds8

About N-(1-hydroxy-4-oxopentan-2-yl)hexanamide

N-(1-hydroxy-4-oxopentan-2-yl)hexanamide (PubChem CID 143028681) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-oxopentan-2-yl)hexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-oxopentan-2-yl)hexanamide
PubChem CID143028681
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1-hydroxy-4-oxopentan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(CO)CC(C)=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-11(15)12-10(8-13)7-9(2)14/h10,13H,3-8H2,1-2H3,(H,12,15)
InChIKeyNCLFYCUYXWICDB-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-oxopentan-2-yl)hexanamide?
The IUPAC name of N-(1-hydroxy-4-oxopentan-2-yl)hexanamide (CID 143028681) is N-(1-hydroxy-4-oxopentan-2-yl)hexanamide.
What is the SMILES notation for N-(1-hydroxy-4-oxopentan-2-yl)hexanamide?
The canonical SMILES for N-(1-hydroxy-4-oxopentan-2-yl)hexanamide is CCCCCC(=O)NC(CO)CC(C)=O.
What is the InChIKey of N-(1-hydroxy-4-oxopentan-2-yl)hexanamide?
The InChIKey is NCLFYCUYXWICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-11(15)12-10(8-13)7-9(2)14/h10,13H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-(1-hydroxy-4-oxopentan-2-yl)hexanamide?
N-(1-hydroxy-4-oxopentan-2-yl)hexanamide has a molecular weight of 215.29 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-oxopentan-2-yl)hexanamide is sourced from PubChem (CID 143028681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).