(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide

C18H36N2O2 — CID 101274790

IUPAC(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCNCCCCCCCCO
InChIInChI=1S/C18H36N2O2/c1-2-3-4-7-10-13-18(22)20-16-15-19-14-11-8-5-6-9-12-17-21/h4,7,19,21H,2-3,5-6,8-17H2,1H3,(H,20,22)/b7-4+
InChIKeyNYKBEEXMUIGAKO-QPJJXVBHSA-N
MW312.50 g/mol
LogP3.16
Rot. Bonds16

About (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide

(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide (PubChem CID 101274790) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide.

Molecular Properties

Compound Name(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
PubChem CID101274790
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
SMILESCCC/C=C/CCC(=O)NCCNCCCCCCCCO
InChIInChI=1S/C18H36N2O2/c1-2-3-4-7-10-13-18(22)20-16-15-19-14-11-8-5-6-9-12-17-21/h4,7,19,21H,2-3,5-6,8-17H2,1H3,(H,20,22)/b7-4+
InChIKeyNYKBEEXMUIGAKO-QPJJXVBHSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.16
H-Bond Donors ≤ 53
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-[(9-hydroxynonylamino)methyl]oct-4-enamide
CID 102118945
(E)-N-[(9-hydroxynonylamino)methyl]hept-4-enamide
CID 102118940
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
CID 101274786
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide?
The IUPAC name of (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide (CID 101274790) is (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide.
What is the SMILES notation for (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide?
The canonical SMILES for (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide is CCC/C=C/CCC(=O)NCCNCCCCCCCCO.
What is the InChIKey of (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide?
The InChIKey is NYKBEEXMUIGAKO-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-2-3-4-7-10-13-18(22)20-16-15-19-14-11-8-5-6-9-12-17-21/h4,7,19,21H,2-3,5-6,8-17H2,1H3,(H,20,22)/b7-4+.
What are the key properties of (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide?
(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide has a molecular weight of 312.50 g/mol, XLogP of 3.16, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide is sourced from PubChem (CID 101274790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).