N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide

C26H44N2O2 — CID 10993436

IUPACN-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
SMILESCC#CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC#CC
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h7-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAGUJTFGPCNIYPF-UHFFFAOYSA-N
MW416.65 g/mol
LogP5.51
Rot. Bonds19

About N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide

N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide (PubChem CID 10993436) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide.

Molecular Properties

Compound NameN-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
PubChem CID10993436
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC NameN-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
SMILESCC#CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC#CC
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h7-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyAGUJTFGPCNIYPF-UHFFFAOYSA-N
XLogP5.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
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N,N'-dipropyldecanediamide
CID 102239298
2-chloro-N-pent-3-ynylacetamide
CID 116643290
N,N'-didecyldodeca-5,7-diynediamide
CID 88921625
undec-9-yn-4-one
CID 104811869
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N-(4-cyanobutyl)octanamide
CID 63284822

Frequently Asked Questions

What is the IUPAC name of N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide?
The IUPAC name of N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide (CID 10993436) is N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide.
What is the SMILES notation for N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide?
The canonical SMILES for N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide is CC#CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC#CC.
What is the InChIKey of N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide?
The InChIKey is AGUJTFGPCNIYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h7-24H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide?
N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide has a molecular weight of 416.65 g/mol, XLogP of 5.51, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide is sourced from PubChem (CID 10993436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).