(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide

C24H47NO4 — CID 119025996

IUPAC(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCO
InChIInChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-20-28-22-23-29-21-19-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyMOUZJOLAMBUMFE-KTKRTIGZSA-N
MW413.64 g/mol
LogP5.17
Rot. Bonds23

About (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide

(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide (PubChem CID 119025996) has the molecular formula C24H47NO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide
PubChem CID119025996
Molecular FormulaC24H47NO4
Molecular Weight413.64 g/mol
Exact Mass413.35
IUPAC Name(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCO
InChIInChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-20-28-22-23-29-21-19-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyMOUZJOLAMBUMFE-KTKRTIGZSA-N
XLogP5.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.17
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide (CID 119025996) is (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCO.
What is the InChIKey of (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide?
The InChIKey is MOUZJOLAMBUMFE-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-20-28-22-23-29-21-19-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-.
What are the key properties of (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide?
(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide has a molecular weight of 413.64 g/mol, XLogP of 5.17, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide is sourced from PubChem (CID 119025996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).