tetradecyl 3-morpholin-4-ylpropanoate

C21H41NO3 — CID 59204007

IUPACtetradecyl 3-morpholin-4-ylpropanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCN1CCOCC1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-21(23)14-15-22-16-19-24-20-17-22/h2-20H2,1H3
InChIKeyTXZCSSUWVWRVBK-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.95
Rot. Bonds16

About tetradecyl 3-morpholin-4-ylpropanoate

tetradecyl 3-morpholin-4-ylpropanoate (PubChem CID 59204007) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is tetradecyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nametetradecyl 3-morpholin-4-ylpropanoate
PubChem CID59204007
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC Nametetradecyl 3-morpholin-4-ylpropanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCN1CCOCC1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-21(23)14-15-22-16-19-24-20-17-22/h2-20H2,1H3
InChIKeyTXZCSSUWVWRVBK-UHFFFAOYSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 54.95
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
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
morpholin-4-ylmethyl hexadecanoate
CID 86303252
decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride
CID 44654754
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
[2-(3-morpholin-4-ylpropanoyloxymethyl)-3-[(Z)-octadec-9-enoyl]oxy-2-[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate
CID 170917033
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
dodecyl 3-[3-[4-[3-[bis(3-dodecoxy-3-oxopropyl)amino]propyl]piperazin-1-yl]propyl-(3-dodecoxy-3-oxopropyl)amino]propanoate
CID 73388404
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 90259776

Frequently Asked Questions

What is the IUPAC name of tetradecyl 3-morpholin-4-ylpropanoate?
The IUPAC name of tetradecyl 3-morpholin-4-ylpropanoate (CID 59204007) is tetradecyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for tetradecyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for tetradecyl 3-morpholin-4-ylpropanoate is CCCCCCCCCCCCCCOC(=O)CCN1CCOCC1.
What is the InChIKey of tetradecyl 3-morpholin-4-ylpropanoate?
The InChIKey is TXZCSSUWVWRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-21(23)14-15-22-16-19-24-20-17-22/h2-20H2,1H3.
What are the key properties of tetradecyl 3-morpholin-4-ylpropanoate?
tetradecyl 3-morpholin-4-ylpropanoate has a molecular weight of 355.56 g/mol, XLogP of 4.95, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59204007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).