N-butyl-6-hydroxyhexanamide;ethane

C14H33NO2 — CID 145076581

IUPACN-butyl-6-hydroxyhexanamide;ethane
SMILESCC.CC.CCCCNC(=O)CCCCCO
InChIInChI=1S/C10H21NO2.2C2H6/c1-2-3-8-11-10(13)7-5-4-6-9-12;2*1-2/h12H,2-9H2,1H3,(H,11,13);2*1-2H3
InChIKeyBLEHCHHTOOXBJQ-UHFFFAOYSA-N
MW247.42 g/mol
LogP3.51
Rot. Bonds8

About N-butyl-6-hydroxyhexanamide;ethane

N-butyl-6-hydroxyhexanamide;ethane (PubChem CID 145076581) has the molecular formula C14H33NO2 and a molecular weight of 247.42 g/mol. Its IUPAC name is N-butyl-6-hydroxyhexanamide;ethane.

Molecular Properties

Compound NameN-butyl-6-hydroxyhexanamide;ethane
PubChem CID145076581
Molecular FormulaC14H33NO2
Molecular Weight247.42 g/mol
Exact Mass247.25
IUPAC NameN-butyl-6-hydroxyhexanamide;ethane
SMILESCC.CC.CCCCNC(=O)CCCCCO
InChIInChI=1S/C10H21NO2.2C2H6/c1-2-3-8-11-10(13)7-5-4-6-9-12;2*1-2/h12H,2-9H2,1H3,(H,11,13);2*1-2H3
InChIKeyBLEHCHHTOOXBJQ-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-(3-hydroxypropyl)docosanamide
CID 87200048
ethane;8-hydroxy-N-pentyloctanamide;molecular hydrogen;vanadium;hydrate
CID 142045779
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-hydroxyhexanamide;ethane?
The IUPAC name of N-butyl-6-hydroxyhexanamide;ethane (CID 145076581) is N-butyl-6-hydroxyhexanamide;ethane.
What is the SMILES notation for N-butyl-6-hydroxyhexanamide;ethane?
The canonical SMILES for N-butyl-6-hydroxyhexanamide;ethane is CC.CC.CCCCNC(=O)CCCCCO.
What is the InChIKey of N-butyl-6-hydroxyhexanamide;ethane?
The InChIKey is BLEHCHHTOOXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.2C2H6/c1-2-3-8-11-10(13)7-5-4-6-9-12;2*1-2/h12H,2-9H2,1H3,(H,11,13);2*1-2H3.
What are the key properties of N-butyl-6-hydroxyhexanamide;ethane?
N-butyl-6-hydroxyhexanamide;ethane has a molecular weight of 247.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-hydroxyhexanamide;ethane is sourced from PubChem (CID 145076581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).