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1-Octadecylcarbamoyl-2-methyl-3-(1-ethylpiperidin-3-yl)carbamoylglycerol

HCID 54565188
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NC1CCCN(CC)C1)OC
InChIKey
ZTHUDLAFKHTREQ-UHFFFAOYSA-N
Molecular formula
C31H61N3O5
Average molar mass
555.8 g/mol

Names & identifiers

Preferred name
1-Octadecylcarbamoyl-2-methyl-3-(1-ethylpiperidin-3-yl)carbamoylglycerol
IUPAC
[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-ethylpiperidin-3-yl)carbamate

Names & synonyms

SCHEMBL9693464ZTHUDLAFKHTREQ-UHFFFAOYSA-N1-Octadecylcarbamoyl-2-methyl-3-(1-ethylpiperidin-3-yl)carbamoylglycerol

Database identifiers

PubChem CID
54565188

Properties

Computed structural propertiesFilling in

XLogP
9.4
Topological polar surface area
89.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
26
Heavy atoms
39
Formal charge
0
Complexity
593

Related reactions

3 records
New reaction record
HRID 649054 reaction equation
HRID 649054As productuspto-grants-1988_04
HRID 816366 reaction equation
HRID 816366As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1493867 reaction equation
HRID 1493867As productuspto-grants-1991_06

Compound notes

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