N,N'-bis[(E)-non-2-enyl]hexanediamide

C24H44N2O2 — CID 101279958

IUPACN,N'-bis[(E)-non-2-enyl]hexanediamide
SMILESCCCCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCCCC
InChIInChI=1S/C24H44N2O2/c1-3-5-7-9-11-13-17-21-25-23(27)19-15-16-20-24(28)26-22-18-14-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-22H2,1-2H3,(H,25,27)(H,26,28)/b17-13+,18-14+
InChIKeyFCJDSENAVPDJJN-HBKJEHTGSA-N
MW392.63 g/mol
LogP5.83
Rot. Bonds19

About N,N'-bis[(E)-non-2-enyl]hexanediamide

N,N'-bis[(E)-non-2-enyl]hexanediamide (PubChem CID 101279958) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 g/mol. Its IUPAC name is N,N'-bis[(E)-non-2-enyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-non-2-enyl]hexanediamide
PubChem CID101279958
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC NameN,N'-bis[(E)-non-2-enyl]hexanediamide
SMILESCCCCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCCCC
InChIInChI=1S/C24H44N2O2/c1-3-5-7-9-11-13-17-21-25-23(27)19-15-16-20-24(28)26-22-18-14-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-22H2,1-2H3,(H,25,27)(H,26,28)/b17-13+,18-14+
InChIKeyFCJDSENAVPDJJN-HBKJEHTGSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 55.83
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)-hept-2-enyl]hexanediamide
CID 101279945
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
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-dodecyldocos-13-enamide
CID 87733981
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(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)-non-2-enyl]hexanediamide?
The IUPAC name of N,N'-bis[(E)-non-2-enyl]hexanediamide (CID 101279958) is N,N'-bis[(E)-non-2-enyl]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-non-2-enyl]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-non-2-enyl]hexanediamide is CCCCCC/C=C/CNC(=O)CCCCC(=O)NC/C=C/CCCCCC.
What is the InChIKey of N,N'-bis[(E)-non-2-enyl]hexanediamide?
The InChIKey is FCJDSENAVPDJJN-HBKJEHTGSA-N. The full InChI is InChI=1S/C24H44N2O2/c1-3-5-7-9-11-13-17-21-25-23(27)19-15-16-20-24(28)26-22-18-14-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-22H2,1-2H3,(H,25,27)(H,26,28)/b17-13+,18-14+.
What are the key properties of N,N'-bis[(E)-non-2-enyl]hexanediamide?
N,N'-bis[(E)-non-2-enyl]hexanediamide has a molecular weight of 392.63 g/mol, XLogP of 5.83, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-non-2-enyl]hexanediamide is sourced from PubChem (CID 101279958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).