[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate

C22H41NO4 — CID 87207736

IUPAC[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)COC(=O)CO
InChIInChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20-27-22(26)19-24/h9-10,24H,2-8,11-20H2,1H3,(H,23,25)/b10-9-
InChIKeyOCWNMPQCEDAXIY-KTKRTIGZSA-N
MW383.57 g/mol
LogP4.68
Rot. Bonds19

About [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate

[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate (PubChem CID 87207736) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate.

Molecular Properties

Compound Name[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate
PubChem CID87207736
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Name[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)COC(=O)CO
InChIInChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20-27-22(26)19-24/h9-10,24H,2-8,11-20H2,1H3,(H,23,25)/b10-9-
InChIKeyOCWNMPQCEDAXIY-KTKRTIGZSA-N
XLogP4.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.68
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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Related Compounds

2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
[2-oxo-2-(pentadecylamino)ethyl] acetate
CID 11088732
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008

Frequently Asked Questions

What is the IUPAC name of [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate?
The IUPAC name of [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate (CID 87207736) is [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate.
What is the SMILES notation for [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate?
The canonical SMILES for [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate is CCCCCCCC/C=C\CCCCCCCCNC(=O)COC(=O)CO.
What is the InChIKey of [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate?
The InChIKey is OCWNMPQCEDAXIY-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20-27-22(26)19-24/h9-10,24H,2-8,11-20H2,1H3,(H,23,25)/b10-9-.
What are the key properties of [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate?
[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate has a molecular weight of 383.57 g/mol, XLogP of 4.68, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate is sourced from PubChem (CID 87207736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).