morpholin-4-ylmethyl hexadecanoate

C21H41NO3 — CID 86303252

IUPACmorpholin-4-ylmethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCN1CCOCC1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(23)25-20-22-16-18-24-19-17-22/h2-20H2,1H3
InChIKeyVKNQFUONVOXRGJ-UHFFFAOYSA-N
MW355.56 g/mol
LogP5.30
Rot. Bonds16

About morpholin-4-ylmethyl hexadecanoate

morpholin-4-ylmethyl hexadecanoate (PubChem CID 86303252) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is morpholin-4-ylmethyl hexadecanoate.

Molecular Properties

Compound Namemorpholin-4-ylmethyl hexadecanoate
PubChem CID86303252
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC Namemorpholin-4-ylmethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCN1CCOCC1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(23)25-20-22-16-18-24-19-17-22/h2-20H2,1H3
InChIKeyVKNQFUONVOXRGJ-UHFFFAOYSA-N
XLogP5.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl octanoate
CID 23118480
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
butyl hexadecanoate;oxirane
CID 174596591
[2-(3-morpholin-4-ylpropanoyloxymethyl)-3-[(Z)-octadec-9-enoyl]oxy-2-[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
CID 170917033
[2-(5-morpholin-4-ylpentanoyloxymethyl)-3-[(Z)-tetradec-9-enoyl]oxy-2-[[(Z)-tetradec-9-enoyl]oxymethyl]propyl] (Z)-tetradec-9-enoate
CID 172948371
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
2,3-di(octadecanoyloxy)propyl octadecanoate;oxirane
CID 174974014
4-hexylmorpholine
CID 3614751
N-(2-morpholin-4-ylethoxy)hexanamide
CID 87298881
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethyl hexadecanoate?
The IUPAC name of morpholin-4-ylmethyl hexadecanoate (CID 86303252) is morpholin-4-ylmethyl hexadecanoate.
What is the SMILES notation for morpholin-4-ylmethyl hexadecanoate?
The canonical SMILES for morpholin-4-ylmethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethyl hexadecanoate?
The InChIKey is VKNQFUONVOXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(23)25-20-22-16-18-24-19-17-22/h2-20H2,1H3.
What are the key properties of morpholin-4-ylmethyl hexadecanoate?
morpholin-4-ylmethyl hexadecanoate has a molecular weight of 355.56 g/mol, XLogP of 5.30, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethyl hexadecanoate is sourced from PubChem (CID 86303252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).