1-morpholin-4-yldocosan-3-one

C26H51NO2 — CID 165066947

IUPAC1-morpholin-4-yldocosan-3-one
SMILESCCCCCCCCCCCCCCCCCCCC(=O)CCN1CCOCC1
InChIInChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)20-21-27-22-24-29-25-23-27/h2-25H2,1H3
InChIKeySCVUKLGGBZQILP-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.32
Rot. Bonds21

About 1-morpholin-4-yldocosan-3-one

1-morpholin-4-yldocosan-3-one (PubChem CID 165066947) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 1-morpholin-4-yldocosan-3-one.

Molecular Properties

Compound Name1-morpholin-4-yldocosan-3-one
PubChem CID165066947
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Name1-morpholin-4-yldocosan-3-one
SMILESCCCCCCCCCCCCCCCCCCCC(=O)CCN1CCOCC1
InChIInChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)20-21-27-22-24-29-25-23-27/h2-25H2,1H3
InChIKeySCVUKLGGBZQILP-UHFFFAOYSA-N
XLogP7.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.32
H-Bond Donors ≤ 50
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 1-morpholin-4-yldocosan-3-one?
The IUPAC name of 1-morpholin-4-yldocosan-3-one (CID 165066947) is 1-morpholin-4-yldocosan-3-one.
What is the SMILES notation for 1-morpholin-4-yldocosan-3-one?
The canonical SMILES for 1-morpholin-4-yldocosan-3-one is CCCCCCCCCCCCCCCCCCCC(=O)CCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yldocosan-3-one?
The InChIKey is SCVUKLGGBZQILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)20-21-27-22-24-29-25-23-27/h2-25H2,1H3.
What are the key properties of 1-morpholin-4-yldocosan-3-one?
1-morpholin-4-yldocosan-3-one has a molecular weight of 409.70 g/mol, XLogP of 7.32, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yldocosan-3-one is sourced from PubChem (CID 165066947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).