N-(5,6-dihydroxyhexyl)propanamide;ethane

C11H25NO3 — CID 156842187

IUPACN-(5,6-dihydroxyhexyl)propanamide;ethane
SMILESCC.CCC(=O)NCCCCC(O)CO
InChIInChI=1S/C9H19NO3.C2H6/c1-2-9(13)10-6-4-3-5-8(12)7-11;1-2/h8,11-12H,2-7H2,1H3,(H,10,13);1-2H3
InChIKeyFSHUMDCVDXQYJH-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.06
Rot. Bonds7

About N-(5,6-dihydroxyhexyl)propanamide;ethane

N-(5,6-dihydroxyhexyl)propanamide;ethane (PubChem CID 156842187) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is N-(5,6-dihydroxyhexyl)propanamide;ethane.

Molecular Properties

Compound NameN-(5,6-dihydroxyhexyl)propanamide;ethane
PubChem CID156842187
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC NameN-(5,6-dihydroxyhexyl)propanamide;ethane
SMILESCC.CCC(=O)NCCCCC(O)CO
InChIInChI=1S/C9H19NO3.C2H6/c1-2-9(13)10-6-4-3-5-8(12)7-11;1-2/h8,11-12H,2-7H2,1H3,(H,10,13);1-2H3
InChIKeyFSHUMDCVDXQYJH-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyheptyl)propanamide
CID 91284740
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
N-(5,6-dihydroxy-3-methylhexyl)propanamide
CID 170744814
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
ethane;N-undecylpropanamide
CID 155706114
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(5,6-dihydroxy-2-oxohexyl)propanamide
CID 123335377
N-(4-methylpentyl)propanamide
CID 54140551
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
7-hydroxy-N-octadecyloctadecanamide
CID 57160535

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydroxyhexyl)propanamide;ethane?
The IUPAC name of N-(5,6-dihydroxyhexyl)propanamide;ethane (CID 156842187) is N-(5,6-dihydroxyhexyl)propanamide;ethane.
What is the SMILES notation for N-(5,6-dihydroxyhexyl)propanamide;ethane?
The canonical SMILES for N-(5,6-dihydroxyhexyl)propanamide;ethane is CC.CCC(=O)NCCCCC(O)CO.
What is the InChIKey of N-(5,6-dihydroxyhexyl)propanamide;ethane?
The InChIKey is FSHUMDCVDXQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C2H6/c1-2-9(13)10-6-4-3-5-8(12)7-11;1-2/h8,11-12H,2-7H2,1H3,(H,10,13);1-2H3.
What are the key properties of N-(5,6-dihydroxyhexyl)propanamide;ethane?
N-(5,6-dihydroxyhexyl)propanamide;ethane has a molecular weight of 219.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydroxyhexyl)propanamide;ethane is sourced from PubChem (CID 156842187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).