(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide

C23H43N3O3 — CID 101285722

IUPAC(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCCN(CCNC(=O)C/C=C/CCCC)CC(C)O
InChIInChI=1S/C23H43N3O3/c1-4-6-8-10-12-14-22(28)24-16-18-26(20-21(3)27)19-17-25-23(29)15-13-11-9-7-5-2/h10-13,21,27H,4-9,14-20H2,1-3H3,(H,24,28)(H,25,29)/b12-10+,13-11+
InChIKeyLRWPICZGWANDDL-DCIPZJNNSA-N
MW409.62 g/mol
LogP3.17
Rot. Bonds18

About (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide

(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide (PubChem CID 101285722) has the molecular formula C23H43N3O3 and a molecular weight of 409.62 g/mol. Its IUPAC name is (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
PubChem CID101285722
Molecular FormulaC23H43N3O3
Molecular Weight409.62 g/mol
Exact Mass409.33
IUPAC Name(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
SMILESCCCC/C=C/CC(=O)NCCN(CCNC(=O)C/C=C/CCCC)CC(C)O
InChIInChI=1S/C23H43N3O3/c1-4-6-8-10-12-14-22(28)24-16-18-26(20-21(3)27)19-17-25-23(29)15-13-11-9-7-5-2/h10-13,21,27H,4-9,14-20H2,1-3H3,(H,24,28)(H,25,29)/b12-10+,13-11+
InChIKeyLRWPICZGWANDDL-DCIPZJNNSA-N
XLogP3.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.17
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'}

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Related Compounds

(E)-N-[2-[2-hydroxyethyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699
calcium;3-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]propanoic acid;3-[2-hydroxypropyl-[2-[[(E)-1-oxidooct-3-enylidene]amino]ethyl]amino]propanoate
CID 101286611
(E)-N-[1-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]propyl]amino]propan-2-yl]oct-3-enamide
CID 101285844
(E)-N-[2-[2-hydroxypropyl-[1-[[(E)-non-3-enoyl]amino]propan-2-yl]amino]propyl]non-3-enamide
CID 101285870
(E)-N-[2-[9-hydroxynonyl(methyl)amino]ethyl]oct-3-enamide
CID 101274843
2-[2-hydroxypropyl-[2-[[(E)-oct-5-enoyl]amino]ethyl]amino]acetic acid
CID 101286449
(E)-N-[3-[2-hydroxypropyl-[3-[[(E)-oct-6-enoyl]amino]propyl]amino]propyl]oct-6-enamide
CID 101285841
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
(E)-N-[2-[3-hydroxypropyl-[1-[[(E)-oct-3-enoyl]amino]propan-2-yl]amino]propyl]oct-3-enamide
CID 101285811
(E)-N-[(dimethylamino)methyl]non-3-enamide
CID 102117783
(2R)-2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonic acid
CID 98048676

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide?
The IUPAC name of (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide (CID 101285722) is (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide.
What is the SMILES notation for (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide?
The canonical SMILES for (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide is CCCC/C=C/CC(=O)NCCN(CCNC(=O)C/C=C/CCCC)CC(C)O.
What is the InChIKey of (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide?
The InChIKey is LRWPICZGWANDDL-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H43N3O3/c1-4-6-8-10-12-14-22(28)24-16-18-26(20-21(3)27)19-17-25-23(29)15-13-11-9-7-5-2/h10-13,21,27H,4-9,14-20H2,1-3H3,(H,24,28)(H,25,29)/b12-10+,13-11+.
What are the key properties of (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide?
(E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide has a molecular weight of 409.62 g/mol, XLogP of 3.17, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-hydroxypropyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide is sourced from PubChem (CID 101285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).