(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide

C22H44N2O2 — CID 6441664

IUPAC(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO
InChIInChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)/b17-16+
InChIKeyUJAJTVMCLPKTRI-WUKNDPDISA-N
MW368.61 g/mol
LogP4.72
Rot. Bonds20

About (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide

(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide (PubChem CID 6441664) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
PubChem CID6441664
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide
SMILESCCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO
InChIInChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)/b17-16+
InChIKeyUJAJTVMCLPKTRI-WUKNDPDISA-N
XLogP4.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide (CID 6441664) is (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide is CCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO.
What is the InChIKey of (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide?
The InChIKey is UJAJTVMCLPKTRI-WUKNDPDISA-N. The full InChI is InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)/b17-16+.
What are the key properties of (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide?
(E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide has a molecular weight of 368.61 g/mol, XLogP of 4.72, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxyethylamino)ethyl]octadec-2-enamide is sourced from PubChem (CID 6441664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).