(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide

C25H47N3O3 — CID 101285811

IUPAC(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCC(C)N(CCCO)C(C)CNC(=O)C/C=C/CCCC
InChIInChI=1S/C25H47N3O3/c1-5-7-9-11-13-16-24(30)26-20-22(3)28(18-15-19-29)23(4)21-27-25(31)17-14-12-10-8-6-2/h11-14,22-23,29H,5-10,15-21H2,1-4H3,(H,26,30)(H,27,31)/b13-11+,14-12+
InChIKeyFESOMCCKTJQJCR-PHEQNACWSA-N
MW437.67 g/mol
LogP3.95
Rot. Bonds19

About (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide

(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide (PubChem CID 101285811) has the molecular formula C25H47N3O3 and a molecular weight of 437.67 g/mol. Its IUPAC name is (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
PubChem CID101285811
Molecular FormulaC25H47N3O3
Molecular Weight437.67 g/mol
Exact Mass437.36
IUPAC Name(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCC(C)N(CCCO)C(C)CNC(=O)C/C=C/CCCC
InChIInChI=1S/C25H47N3O3/c1-5-7-9-11-13-16-24(30)26-20-22(3)28(18-15-19-29)23(4)21-27-25(31)17-14-12-10-8-6-2/h11-14,22-23,29H,5-10,15-21H2,1-4H3,(H,26,30)(H,27,31)/b13-11+,14-12+
InChIKeyFESOMCCKTJQJCR-PHEQNACWSA-N
XLogP3.95
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.67
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide with MolForge

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Related Compounds

(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
CID 101285870
(E)-N-[2-[2-hydroxyethyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699
(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
CID 101274843
(E)-N-[1-[3-hydroxypropyl-[2-[[(E)-non-3-enoyl]amino]propyl]amino]propan-2-yl]non-3-enamide
CID 101285824
(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285722
(E)-N-[(dimethylamino)methyl]non-3-enamide
CID 102117783
(E)-N-[1-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]propyl]amino]propan-2-yl]oct-3-enamide
CID 101285844
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
(E)-N-benzyloct-3-enamide
CID 14875642
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
(E)-N-[3-[3-[[(E)-non-3-enoyl]amino]propyl-(oxiran-2-ylmethyl)amino]propyl]non-3-enamide
CID 102117758
(E)-heptadec-12-en-1-ol
CID 87814318

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide?
The IUPAC name of (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide (CID 101285811) is (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide.
What is the SMILES notation for (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide?
The canonical SMILES for (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide is CCCC/C=C/CC(=O)NCC(C)N(CCCO)C(C)CNC(=O)C/C=C/CCCC.
What is the InChIKey of (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide?
The InChIKey is FESOMCCKTJQJCR-PHEQNACWSA-N. The full InChI is InChI=1S/C25H47N3O3/c1-5-7-9-11-13-16-24(30)26-20-22(3)28(18-15-19-29)23(4)21-27-25(31)17-14-12-10-8-6-2/h11-14,22-23,29H,5-10,15-21H2,1-4H3,(H,26,30)(H,27,31)/b13-11+,14-12+.
What are the key properties of (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide?
(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide has a molecular weight of 437.67 g/mol, XLogP of 3.95, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide is sourced from PubChem (CID 101285811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).