2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide

C28H56N4O2 — CID 89218835

IUPAC2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide
SMILESC=CC(CCCCCCC)C(=O)NCCCNCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C28H56N4O2/c1-4-7-9-11-13-15-19-27(33)31-22-16-20-29-24-25-30-21-17-23-32-28(34)26(6-3)18-14-12-10-8-5-2/h6,26,29-30H,3-5,7-25H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyAWKGSXPMIXHVIT-UHFFFAOYSA-N
MW480.78 g/mol
LogP5.09
Rot. Bonds26

About 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide

2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide (PubChem CID 89218835) has the molecular formula C28H56N4O2 and a molecular weight of 480.78 g/mol. Its IUPAC name is 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide.

Molecular Properties

Compound Name2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide
PubChem CID89218835
Molecular FormulaC28H56N4O2
Molecular Weight480.78 g/mol
Exact Mass480.44
IUPAC Name2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide
SMILESC=CC(CCCCCCC)C(=O)NCCCNCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C28H56N4O2/c1-4-7-9-11-13-15-19-27(33)31-22-16-20-29-24-25-30-21-17-23-32-28(34)26(6-3)18-14-12-10-8-5-2/h6,26,29-30H,3-5,7-25H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyAWKGSXPMIXHVIT-UHFFFAOYSA-N
XLogP5.09
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide?
The IUPAC name of 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide (CID 89218835) is 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide.
What is the SMILES notation for 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide?
The canonical SMILES for 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide is C=CC(CCCCCCC)C(=O)NCCCNCCNCCCNC(=O)CCCCCCCC.
What is the InChIKey of 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide?
The InChIKey is AWKGSXPMIXHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N4O2/c1-4-7-9-11-13-15-19-27(33)31-22-16-20-29-24-25-30-21-17-23-32-28(34)26(6-3)18-14-12-10-8-5-2/h6,26,29-30H,3-5,7-25H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide?
2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide has a molecular weight of 480.78 g/mol, XLogP of 5.09, 26 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[3-[2-[3-(nonanoylamino)propylamino]ethylamino]propyl]nonanamide is sourced from PubChem (CID 89218835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).