2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate

C22H43NO3 — CID 6436847

IUPAC2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3/b10-9-
InChIKeyUHEVUYWIUKQMTJ-KTKRTIGZSA-N
MW369.59 g/mol
LogP5.15
Rot. Bonds20

About 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate

2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate (PubChem CID 6436847) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate
PubChem CID6436847
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO
InChIInChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3/b10-9-
InChIKeyUHEVUYWIUKQMTJ-KTKRTIGZSA-N
XLogP5.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 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 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate?
The IUPAC name of 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate (CID 6436847) is 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate?
The InChIKey is UHEVUYWIUKQMTJ-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)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate?
2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate has a molecular weight of 369.59 g/mol, XLogP of 5.15, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate is sourced from PubChem (CID 6436847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).