N-morpholin-4-yloctadec-9-enamide

C22H42N2O2 — CID 91252017

IUPACN-morpholin-4-yloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NN1CCOCC1
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-24-18-20-26-21-19-24/h9-10H,2-8,11-21H2,1H3,(H,23,25)
InChIKeyJQUHJOYUAPJDPK-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.39
Rot. Bonds16

About N-morpholin-4-yloctadec-9-enamide

N-morpholin-4-yloctadec-9-enamide (PubChem CID 91252017) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-morpholin-4-yloctadec-9-enamide.

Molecular Properties

Compound NameN-morpholin-4-yloctadec-9-enamide
PubChem CID91252017
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC NameN-morpholin-4-yloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NN1CCOCC1
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-24-18-20-26-21-19-24/h9-10H,2-8,11-21H2,1H3,(H,23,25)
InChIKeyJQUHJOYUAPJDPK-UHFFFAOYSA-N
XLogP5.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.39
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

(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
N-(4-methylpiperazin-1-yl)dodecanamide
CID 3590549
N-[(E,2R,3S)-3-hydroxy-1-morpholin-4-yloctadec-4-en-2-yl]hexadecanamide
CID 10438660
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
4-[(Z)-non-2-enyl]morpholine
CID 101051916
ethane-1,2-diol;octadec-9-enoic acid;oxirane
CID 173066002
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(Z)-N-chlorooctadec-9-enamide
CID 174372147
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
(E)-octadec-9-enehydrazide
CID 6281873
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
N-[1-[4-[1-[[(Z)-octadec-9-enoyl]amino]propyl]piperazin-1-yl]propyl]octadec-9-enamide
CID 175579262

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yloctadec-9-enamide?
The IUPAC name of N-morpholin-4-yloctadec-9-enamide (CID 91252017) is N-morpholin-4-yloctadec-9-enamide.
What is the SMILES notation for N-morpholin-4-yloctadec-9-enamide?
The canonical SMILES for N-morpholin-4-yloctadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)NN1CCOCC1.
What is the InChIKey of N-morpholin-4-yloctadec-9-enamide?
The InChIKey is JQUHJOYUAPJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-24-18-20-26-21-19-24/h9-10H,2-8,11-21H2,1H3,(H,23,25).
What are the key properties of N-morpholin-4-yloctadec-9-enamide?
N-morpholin-4-yloctadec-9-enamide has a molecular weight of 366.59 g/mol, XLogP of 5.39, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yloctadec-9-enamide is sourced from PubChem (CID 91252017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).