Semiplenamide E

HCID 11463588

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)COC(C)=O
InChIKey: HMEVPMUFHLUBFU-KGAYOUTBSA-N
Molecular formula: C24H45NO3
Average molar mass: 395.6 g/mol
Monoisotopic mass: 395.3399443

Overview

Semiplenamide E is a fatty amide.

Names & identifiers

Preferred name: Semiplenamide E
IUPAC: [(2S)-2-[[(E)-2-methyloctadec-2-enoyl]amino]propyl] acetate

Names & synonyms

Semiplenamide E[(2S)-2-[[(E)-2-methyloctadec-2-enoyl]amino]propyl] Acetate(2S)-2-[(2E)-2-METHYLOCTADEC-2-ENAMIDO]PROPYL ACETATE(2S)-2-((2E)-2-methyloctadec-2-enamido)propyl acetate((2S)-2-(((E)-2-methyloctadec-2-enoyl)amino)propyl) acetate(2E)-N-((2S)-1-(Acetyloxy)propan-2-yl)-2-methyloctadec-2-enimidate(2E)-N-[(2S)-1-(Acetyloxy)propan-2-yl]-2-methyloctadec-2-enimidateRefChem:182356630100-45-7CHEMBL465163CHEBI:208229DTXSID701335241

Show more names

(2S)-2-{[(2E)-2-Methyloctadec-2-enoyl]amino}propyl acetate

Database identifiers

PubChem CID: 11463588
DTXSID: DTXSID701335241
ChEMBL: CHEMBL465163
ChEBI: CHEBI:208229
Nikkaji: J1.967.835K

Properties

Computed structural properties

XLogP: 8.5
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 19
Heavy atoms: 28
Formal charge: 0
Complexity: 432

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…