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

C22H43NO3 — CID 6436522

IUPAC(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-
InChIKeyULHGTPIJYDGNHZ-KTKRTIGZSA-N
MW369.59 g/mol
LogP5.15
Rot. Bonds20

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

(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide (PubChem CID 6436522) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
PubChem CID6436522
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-
InChIKeyULHGTPIJYDGNHZ-KTKRTIGZSA-N
XLogP5.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.15
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide (CID 6436522) is (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCO.
What is the InChIKey of (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
The InChIKey is ULHGTPIJYDGNHZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-.
What are the key properties of (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide?
(Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide has a molecular weight of 369.59 g/mol, XLogP of 5.15, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide is sourced from PubChem (CID 6436522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).