N,N'-bis[(E)-dodec-1-enyl]hexanediamide

C30H56N2O2 — CID 101279984

IUPACN,N'-bis[(E)-dodec-1-enyl]hexanediamide
SMILESCCCCCCCCCC/C=C/NC(=O)CCCCC(=O)N/C=C/CCCCCCCCCC
InChIInChI=1S/C30H56N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-31-29(33)25-21-22-26-30(34)32-28-24-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34)/b27-23+,28-24+
InChIKeyWNVLYIDMCZYGIY-LMCGJEQXSA-N
MW476.79 g/mol
LogP8.87
Rot. Bonds25

About N,N'-bis[(E)-dodec-1-enyl]hexanediamide

N,N'-bis[(E)-dodec-1-enyl]hexanediamide (PubChem CID 101279984) has the molecular formula C30H56N2O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is N,N'-bis[(E)-dodec-1-enyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-dodec-1-enyl]hexanediamide
PubChem CID101279984
Molecular FormulaC30H56N2O2
Molecular Weight476.79 g/mol
Exact Mass476.43
IUPAC NameN,N'-bis[(E)-dodec-1-enyl]hexanediamide
SMILESCCCCCCCCCC/C=C/NC(=O)CCCCC(=O)N/C=C/CCCCCCCCCC
InChIInChI=1S/C30H56N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-31-29(33)25-21-22-26-30(34)32-28-24-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34)/b27-23+,28-24+
InChIKeyWNVLYIDMCZYGIY-LMCGJEQXSA-N
XLogP8.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 58.87
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

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CID 87894534
N-dec-1-enylprop-2-enamide
CID 90744520
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CID 58048841
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
(E)-octadec-9-enehydrazide
CID 6281873
(Z)-N-chlorooctadec-9-enamide
CID 174372147
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163
henicos-9-en-11-one
CID 3023243
(E)-icos-11-en-10-one
CID 101359358

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-dodec-1-enyl]hexanediamide?
The IUPAC name of N,N'-bis[(E)-dodec-1-enyl]hexanediamide (CID 101279984) is N,N'-bis[(E)-dodec-1-enyl]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-dodec-1-enyl]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-dodec-1-enyl]hexanediamide is CCCCCCCCCC/C=C/NC(=O)CCCCC(=O)N/C=C/CCCCCCCCCC.
What is the InChIKey of N,N'-bis[(E)-dodec-1-enyl]hexanediamide?
The InChIKey is WNVLYIDMCZYGIY-LMCGJEQXSA-N. The full InChI is InChI=1S/C30H56N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-31-29(33)25-21-22-26-30(34)32-28-24-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34)/b27-23+,28-24+.
What are the key properties of N,N'-bis[(E)-dodec-1-enyl]hexanediamide?
N,N'-bis[(E)-dodec-1-enyl]hexanediamide has a molecular weight of 476.79 g/mol, XLogP of 8.87, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-dodec-1-enyl]hexanediamide is sourced from PubChem (CID 101279984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).