ethane;N-octylhexanamide

C20H47NO — CID 177149935

IUPACethane;N-octylhexanamide
SMILESCC.CC.CC.CCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C14H29NO.3C2H6/c1-3-5-7-8-9-11-13-15-14(16)12-10-6-4-2;3*1-2/h3-13H2,1-2H3,(H,15,16);3*1-2H3
InChIKeyHQEJOPSTDIRIEB-UHFFFAOYSA-N
MW317.60 g/mol
LogP7.12
Rot. Bonds11

About ethane;N-octylhexanamide

ethane;N-octylhexanamide (PubChem CID 177149935) has the molecular formula C20H47NO and a molecular weight of 317.60 g/mol. Its IUPAC name is ethane;N-octylhexanamide.

Molecular Properties

Compound Nameethane;N-octylhexanamide
PubChem CID177149935
Molecular FormulaC20H47NO
Molecular Weight317.60 g/mol
Exact Mass317.37
IUPAC Nameethane;N-octylhexanamide
SMILESCC.CC.CC.CCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C14H29NO.3C2H6/c1-3-5-7-8-9-11-13-15-14(16)12-10-6-4-2;3*1-2/h3-13H2,1-2H3,(H,15,16);3*1-2H3
InChIKeyHQEJOPSTDIRIEB-UHFFFAOYSA-N
XLogP7.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-heptylhexadecanamide
CID 142440540
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of ethane;N-octylhexanamide?
The IUPAC name of ethane;N-octylhexanamide (CID 177149935) is ethane;N-octylhexanamide.
What is the SMILES notation for ethane;N-octylhexanamide?
The canonical SMILES for ethane;N-octylhexanamide is CC.CC.CC.CCCCCCCCNC(=O)CCCCC.
What is the InChIKey of ethane;N-octylhexanamide?
The InChIKey is HQEJOPSTDIRIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.3C2H6/c1-3-5-7-8-9-11-13-15-14(16)12-10-6-4-2;3*1-2/h3-13H2,1-2H3,(H,15,16);3*1-2H3.
What are the key properties of ethane;N-octylhexanamide?
ethane;N-octylhexanamide has a molecular weight of 317.60 g/mol, XLogP of 7.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-octylhexanamide is sourced from PubChem (CID 177149935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).