N,N'-bis[(E)-dec-8-enyl]hexanediamide

C26H48N2O2 — CID 101279972

IUPACN,N'-bis[(E)-dec-8-enyl]hexanediamide
SMILESC/C=C/CCCCCCCNC(=O)CCCCC(=O)NCCCCCCC/C=C/C
InChIInChI=1S/C26H48N2O2/c1-3-5-7-9-11-13-15-19-23-27-25(29)21-17-18-22-26(30)28-24-20-16-14-12-10-8-6-4-2/h3-6H,7-24H2,1-2H3,(H,27,29)(H,28,30)/b5-3+,6-4+
InChIKeyPXKLLGFFNWYQLD-GGWOSOGESA-N
MW420.68 g/mol
LogP6.61
Rot. Bonds21

About N,N'-bis[(E)-dec-8-enyl]hexanediamide

N,N'-bis[(E)-dec-8-enyl]hexanediamide (PubChem CID 101279972) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is N,N'-bis[(E)-dec-8-enyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-dec-8-enyl]hexanediamide
PubChem CID101279972
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC NameN,N'-bis[(E)-dec-8-enyl]hexanediamide
SMILESC/C=C/CCCCCCCNC(=O)CCCCC(=O)NCCCCCCC/C=C/C
InChIInChI=1S/C26H48N2O2/c1-3-5-7-9-11-13-15-19-23-27-25(29)21-17-18-22-26(30)28-24-20-16-14-12-10-8-6-4-2/h3-6H,7-24H2,1-2H3,(H,27,29)(H,28,30)/b5-3+,6-4+
InChIKeyPXKLLGFFNWYQLD-GGWOSOGESA-N
XLogP6.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-dec-8-enyl]hexanediamide?
The IUPAC name of N,N'-bis[(E)-dec-8-enyl]hexanediamide (CID 101279972) is N,N'-bis[(E)-dec-8-enyl]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-dec-8-enyl]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-dec-8-enyl]hexanediamide is C/C=C/CCCCCCCNC(=O)CCCCC(=O)NCCCCCCC/C=C/C.
What is the InChIKey of N,N'-bis[(E)-dec-8-enyl]hexanediamide?
The InChIKey is PXKLLGFFNWYQLD-GGWOSOGESA-N. The full InChI is InChI=1S/C26H48N2O2/c1-3-5-7-9-11-13-15-19-23-27-25(29)21-17-18-22-26(30)28-24-20-16-14-12-10-8-6-4-2/h3-6H,7-24H2,1-2H3,(H,27,29)(H,28,30)/b5-3+,6-4+.
What are the key properties of N,N'-bis[(E)-dec-8-enyl]hexanediamide?
N,N'-bis[(E)-dec-8-enyl]hexanediamide has a molecular weight of 420.68 g/mol, XLogP of 6.61, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-dec-8-enyl]hexanediamide is sourced from PubChem (CID 101279972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).