(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide

C20H40N2O2 — CID 102117853

IUPAC(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(CCO)CCCCCCCC
InChIInChI=1S/C20H40N2O2/c1-3-5-7-9-11-13-16-22(18-19-23)17-15-21-20(24)14-12-10-8-6-4-2/h8,10,23H,3-7,9,11-19H2,1-2H3,(H,21,24)/b10-8+
InChIKeyIGBSAEXZLRGBFD-CSKARUKUSA-N
MW340.55 g/mol
LogP3.89
Rot. Bonds17

About (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide

(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide (PubChem CID 102117853) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
PubChem CID102117853
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCN(CCO)CCCCCCCC
InChIInChI=1S/C20H40N2O2/c1-3-5-7-9-11-13-16-22(18-19-23)17-15-21-20(24)14-12-10-8-6-4-2/h8,10,23H,3-7,9,11-19H2,1-2H3,(H,21,24)/b10-8+
InChIKeyIGBSAEXZLRGBFD-CSKARUKUSA-N
XLogP3.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
(E)-N-[2-[2-hydroxyethyl-[2-[[(E)-oct-3-enoyl]amino]ethyl]amino]ethyl]oct-3-enamide
CID 101285699
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide?
The IUPAC name of (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide (CID 102117853) is (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide.
What is the SMILES notation for (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide?
The canonical SMILES for (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide is CCC/C=C/CCC(=O)NCCN(CCO)CCCCCCCC.
What is the InChIKey of (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide?
The InChIKey is IGBSAEXZLRGBFD-CSKARUKUSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-3-5-7-9-11-13-16-22(18-19-23)17-15-21-20(24)14-12-10-8-6-4-2/h8,10,23H,3-7,9,11-19H2,1-2H3,(H,21,24)/b10-8+.
What are the key properties of (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide?
(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide has a molecular weight of 340.55 g/mol, XLogP of 3.89, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide is sourced from PubChem (CID 102117853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).