(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide

C24H46N2O2 — CID 169211001

IUPAC(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-19-26-20-22-28-23-21-26/h9-10H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyQJSJSNZIMSVENG-KTKRTIGZSA-N
MW394.64 g/mol
LogP5.47
Rot. Bonds18

About (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide

(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide (PubChem CID 169211001) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
PubChem CID169211001
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-19-26-20-22-28-23-21-26/h9-10H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKeyQJSJSNZIMSVENG-KTKRTIGZSA-N
XLogP5.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.47
H-Bond Donors ≤ 51
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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Related Compounds

N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
[2-(2-morpholin-4-ylethylcarbamoyloxy)-3-octadec-9-enoyloxypropyl] octadec-9-enoate
CID 54379802
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-morpholin-4-yloctadec-9-enamide
CID 91252017
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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide (CID 169211001) is (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide?
The InChIKey is QJSJSNZIMSVENG-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-19-26-20-22-28-23-21-26/h9-10H,2-8,11-23H2,1H3,(H,25,27)/b10-9-.
What are the key properties of (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide?
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide has a molecular weight of 394.64 g/mol, XLogP of 5.47, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide is sourced from PubChem (CID 169211001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).