16-morpholin-4-ylhexadecan-2-one

C20H39NO2 — CID 91600497

IUPAC16-morpholin-4-ylhexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C20H39NO2/c1-20(22)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-18-23-19-17-21/h2-19H2,1H3
InChIKeyLGXNEGCBSBOBDZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP4.98
Rot. Bonds15

About 16-morpholin-4-ylhexadecan-2-one

16-morpholin-4-ylhexadecan-2-one (PubChem CID 91600497) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 16-morpholin-4-ylhexadecan-2-one.

Molecular Properties

Compound Name16-morpholin-4-ylhexadecan-2-one
PubChem CID91600497
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name16-morpholin-4-ylhexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C20H39NO2/c1-20(22)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-18-23-19-17-21/h2-19H2,1H3
InChIKeyLGXNEGCBSBOBDZ-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.98
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 16-morpholin-4-ylhexadecan-2-one?
The IUPAC name of 16-morpholin-4-ylhexadecan-2-one (CID 91600497) is 16-morpholin-4-ylhexadecan-2-one.
What is the SMILES notation for 16-morpholin-4-ylhexadecan-2-one?
The canonical SMILES for 16-morpholin-4-ylhexadecan-2-one is CC(=O)CCCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 16-morpholin-4-ylhexadecan-2-one?
The InChIKey is LGXNEGCBSBOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-20(22)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-18-23-19-17-21/h2-19H2,1H3.
What are the key properties of 16-morpholin-4-ylhexadecan-2-one?
16-morpholin-4-ylhexadecan-2-one has a molecular weight of 325.54 g/mol, XLogP of 4.98, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-morpholin-4-ylhexadecan-2-one is sourced from PubChem (CID 91600497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).