(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide

C26H51NO5 — CID 6441546

IUPAC(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(CCOCCO)CCOCCO
InChIInChI=1S/C26H51NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27(18-22-31-24-20-28)19-23-32-25-21-29/h9-10,28-29H,2-8,11-25H2,1H3/b10-9+
InChIKeyUOGNSJYISHZWQO-MDZDMXLPSA-N
MW457.70 g/mol
LogP4.87
Rot. Bonds25

About (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide

(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide (PubChem CID 6441546) has the molecular formula C26H51NO5 and a molecular weight of 457.70 g/mol. Its IUPAC name is (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
PubChem CID6441546
Molecular FormulaC26H51NO5
Molecular Weight457.70 g/mol
Exact Mass457.38
IUPAC Name(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(CCOCCO)CCOCCO
InChIInChI=1S/C26H51NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27(18-22-31-24-20-28)19-23-32-25-21-29/h9-10,28-29H,2-8,11-25H2,1H3/b10-9+
InChIKeyUOGNSJYISHZWQO-MDZDMXLPSA-N
XLogP4.87
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.70
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Oleic acid diethanolamide
CID 5371728
(9Z,12Z)-N,N-Bis(2-hydroxyethyl)octadeca-9,12-dien-1-amide
CID 9976267
9-Octadecenamide, N-[2-(2-hydroxyethoxy)ethyl]-, (9Z)-
CID 6436522
PEG-3 oleamide
CID 119025996
Oleoylmorpholine
CID 6437597
N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
CID 42017
N-(2-Hydroxyethyl)-N-methyloleamide
CID 71719909
Dioleoylethanolamine
CID 87148172
(9E,12E)-N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
CID 6366410
6,9-Octadecadienamide, N,N-bis(2-hydroxyethyl)-, (6Z,9Z)-
CID 6436728
N,N-Bis(2-hydroxyethyl)octadec-9-enamide
CID 7164
N-oleoyl,N-stearoylethanolamine
CID 175464462

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The IUPAC name of (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide (CID 6441546) is (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide.
What is the SMILES notation for (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The canonical SMILES for (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)N(CCOCCO)CCOCCO.
What is the InChIKey of (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The InChIKey is UOGNSJYISHZWQO-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H51NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27(18-22-31-24-20-28)19-23-32-25-21-29/h9-10,28-29H,2-8,11-25H2,1H3/b10-9+.
What are the key properties of (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
(E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide has a molecular weight of 457.70 g/mol, XLogP of 4.87, 25 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide is sourced from PubChem (CID 6441546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).