18-morpholin-4-yloctadecanoic acid

C22H43NO3 — CID 123788836

IUPAC18-morpholin-4-yloctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H43NO3/c24-22(25)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23-18-20-26-21-19-23/h1-21H2,(H,24,25)
InChIKeyABKMROZHNTVGPY-UHFFFAOYSA-N
MW369.59 g/mol
LogP5.64
Rot. Bonds18

About 18-morpholin-4-yloctadecanoic acid

18-morpholin-4-yloctadecanoic acid (PubChem CID 123788836) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 18-morpholin-4-yloctadecanoic acid.

Molecular Properties

Compound Name18-morpholin-4-yloctadecanoic acid
PubChem CID123788836
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name18-morpholin-4-yloctadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H43NO3/c24-22(25)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23-18-20-26-21-19-23/h1-21H2,(H,24,25)
InChIKeyABKMROZHNTVGPY-UHFFFAOYSA-N
XLogP5.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 18-morpholin-4-yloctadecanoic acid?
The IUPAC name of 18-morpholin-4-yloctadecanoic acid (CID 123788836) is 18-morpholin-4-yloctadecanoic acid.
What is the SMILES notation for 18-morpholin-4-yloctadecanoic acid?
The canonical SMILES for 18-morpholin-4-yloctadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 18-morpholin-4-yloctadecanoic acid?
The InChIKey is ABKMROZHNTVGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c24-22(25)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23-18-20-26-21-19-23/h1-21H2,(H,24,25).
What are the key properties of 18-morpholin-4-yloctadecanoic acid?
18-morpholin-4-yloctadecanoic acid has a molecular weight of 369.59 g/mol, XLogP of 5.64, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-morpholin-4-yloctadecanoic acid is sourced from PubChem (CID 123788836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).