1-morpholin-4-ylheptadecan-5-one

C21H41NO2 — CID 158947506

IUPAC1-morpholin-4-ylheptadecan-5-one
SMILESCCCCCCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-14-21(23)15-12-13-16-22-17-19-24-20-18-22/h2-20H2,1H3
InChIKeyLDAUBXBJOSXWKM-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.37
Rot. Bonds16

About 1-morpholin-4-ylheptadecan-5-one

1-morpholin-4-ylheptadecan-5-one (PubChem CID 158947506) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 1-morpholin-4-ylheptadecan-5-one.

Molecular Properties

Compound Name1-morpholin-4-ylheptadecan-5-one
PubChem CID158947506
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name1-morpholin-4-ylheptadecan-5-one
SMILESCCCCCCCCCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-14-21(23)15-12-13-16-22-17-19-24-20-18-22/h2-20H2,1H3
InChIKeyLDAUBXBJOSXWKM-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.37
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-ylheptadecan-5-one?
The IUPAC name of 1-morpholin-4-ylheptadecan-5-one (CID 158947506) is 1-morpholin-4-ylheptadecan-5-one.
What is the SMILES notation for 1-morpholin-4-ylheptadecan-5-one?
The canonical SMILES for 1-morpholin-4-ylheptadecan-5-one is CCCCCCCCCCCCC(=O)CCCCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylheptadecan-5-one?
The InChIKey is LDAUBXBJOSXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-14-21(23)15-12-13-16-22-17-19-24-20-18-22/h2-20H2,1H3.
What are the key properties of 1-morpholin-4-ylheptadecan-5-one?
1-morpholin-4-ylheptadecan-5-one has a molecular weight of 339.56 g/mol, XLogP of 5.37, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylheptadecan-5-one is sourced from PubChem (CID 158947506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).