(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide

C24H48N2O2 — CID 6437128

IUPAC(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CC)CCO
InChIInChI=1S/C24H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28)/b12-11+
InChIKeyKLQRKYZWLSWRCA-VAWYXSNFSA-N
MW396.66 g/mol
LogP5.45
Rot. Bonds21

About (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide

(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide (PubChem CID 6437128) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
PubChem CID6437128
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Name(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CC)CCO
InChIInChI=1S/C24H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28)/b12-11+
InChIKeyKLQRKYZWLSWRCA-VAWYXSNFSA-N
XLogP5.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.45
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'}

Analyze (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
(E)-N-[2-[2-hydroxyethyl(octyl)amino]ethyl]oct-4-enamide
CID 102117853
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
(2R)-2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonic acid
CID 98048676
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
(E)-N-[2-[ethyl(9-hydroxynonyl)amino]ethyl]oct-4-enamide
CID 101274880
sodium 2-hydroxy-3-[2-hydroxyethyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]amino]propane-1-sulfonate
CID 23668643
sodium 2-hydroxy-3-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]propane-1-sulfonate
CID 53432490

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide?
The IUPAC name of (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide (CID 6437128) is (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide.
What is the SMILES notation for (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide?
The canonical SMILES for (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CC)CCO.
What is the InChIKey of (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide?
The InChIKey is KLQRKYZWLSWRCA-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3,(H,25,28)/b12-11+.
What are the key properties of (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide?
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide has a molecular weight of 396.66 g/mol, XLogP of 5.45, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide is sourced from PubChem (CID 6437128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).