N,N'-bis[(E)-undec-7-enyl]hexanediamide

C28H52N2O2 — CID 101279980

IUPACN,N'-bis[(E)-undec-7-enyl]hexanediamide
SMILESCCC/C=C/CCCCCCNC(=O)CCCCC(=O)NCCCCCC/C=C/CCC
InChIInChI=1S/C28H52N2O2/c1-3-5-7-9-11-13-15-17-21-25-29-27(31)23-19-20-24-28(32)30-26-22-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-26H2,1-2H3,(H,29,31)(H,30,32)/b9-7+,10-8+
InChIKeyQYWDHEIVXRSGPQ-FIFLTTCUSA-N
MW448.74 g/mol
LogP7.39
Rot. Bonds23

About N,N'-bis[(E)-undec-7-enyl]hexanediamide

N,N'-bis[(E)-undec-7-enyl]hexanediamide (PubChem CID 101279980) has the molecular formula C28H52N2O2 and a molecular weight of 448.74 g/mol. Its IUPAC name is N,N'-bis[(E)-undec-7-enyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-undec-7-enyl]hexanediamide
PubChem CID101279980
Molecular FormulaC28H52N2O2
Molecular Weight448.74 g/mol
Exact Mass448.40
IUPAC NameN,N'-bis[(E)-undec-7-enyl]hexanediamide
SMILESCCC/C=C/CCCCCCNC(=O)CCCCC(=O)NCCCCCC/C=C/CCC
InChIInChI=1S/C28H52N2O2/c1-3-5-7-9-11-13-15-17-21-25-29-27(31)23-19-20-24-28(32)30-26-22-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-26H2,1-2H3,(H,29,31)(H,30,32)/b9-7+,10-8+
InChIKeyQYWDHEIVXRSGPQ-FIFLTTCUSA-N
XLogP7.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 57.39
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-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
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(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
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-hexadecyloctadec-9-enamide;sulfuric acid
CID 173436685

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-undec-7-enyl]hexanediamide?
The IUPAC name of N,N'-bis[(E)-undec-7-enyl]hexanediamide (CID 101279980) is N,N'-bis[(E)-undec-7-enyl]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-undec-7-enyl]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-undec-7-enyl]hexanediamide is CCC/C=C/CCCCCCNC(=O)CCCCC(=O)NCCCCCC/C=C/CCC.
What is the InChIKey of N,N'-bis[(E)-undec-7-enyl]hexanediamide?
The InChIKey is QYWDHEIVXRSGPQ-FIFLTTCUSA-N. The full InChI is InChI=1S/C28H52N2O2/c1-3-5-7-9-11-13-15-17-21-25-29-27(31)23-19-20-24-28(32)30-26-22-18-16-14-12-10-8-6-4-2/h7-10H,3-6,11-26H2,1-2H3,(H,29,31)(H,30,32)/b9-7+,10-8+.
What are the key properties of N,N'-bis[(E)-undec-7-enyl]hexanediamide?
N,N'-bis[(E)-undec-7-enyl]hexanediamide has a molecular weight of 448.74 g/mol, XLogP of 7.39, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-undec-7-enyl]hexanediamide is sourced from PubChem (CID 101279980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).